SCHEMBL19085530

SCHEMBL19085530

CN1CCN(Cc2ccc(N=O)cc2C(F)(F)F)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.65
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
SRC P12931 5/20 0.50
KIT P10721 5/20 0.48
BRAF P15056 2/20 0.46
ABL1 P00519 4/20 0.46
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
CDK8 P49336 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DDR1 Q08345 1/20 0.44
KMT2A Q03164 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24192729 0.90 NR1H2 (0.52) NR1H2KDM4EALDH1A1POLBSRC
SCHEMBL24567267 0.83 NR1H2 (0.61) NR1H2KDM4EALDH1A1POLBSRC
SCHEMBL20922007 0.81 NR1H2 (0.61) NR1H2KDM4EALDH1A1POLBSRC
SCHEMBL7923610 0.80 NR1H2 (0.72) NR1H2KDM4EALDH1A1POLBSRC
SCHEMBL29493475 0.79 NR1H2 (1.00) NR1H2KDM4EALDH1A1POLBSRC
SCHEMBL28864320 0.79 NR1H2 (0.70) NR1H2KDM4EALDH1A1POLBSRC
SCHEMBL273351 0.79 NR1H2 (1.00) NR1H2KDM4EALDH1A1POLBSRC
SCHEMBL21974754 0.78 NR1H2 (0.65) NR1H2KDM4EALDH1A1POLBSRC
SCHEMBL19178335 0.78 NR1H2 (0.65) NR1H2KDM4EALDH1A1POLBSRC
SCHEMBL9609582 0.78 NR1H2 (0.68) NR1H2KDM4EALDH1A1POLBSRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384086-B2 Crystalline forms of 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-n-{4-[(4-methylpiperazin-1- yl)methyl]-3-(trifluoromethyl)phenyl}benzamide and its mono hydrochloride salt ARIAD PHARMACEUTICALS, INC. (US) 2022-07-12 US disclosed
US-11192897-B2 Crystalline forms of 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide and its mono hydrochloride salt ARIAD PHARMACEUTICALS, INC. (US) 2021-12-07 US disclosed
US-20210340149-A1 CRYSTALLINE FORMS OF 3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-{4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL}BENZAMIDE AND ITS MONO HYDROCHLORIDE SALT TAKEDA PHARMACEUTICALS U.S.A., INC. 2021-11-04 US disclosed
US-20210277012-A1 CRYSTALLINE FORMS OF 3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-{4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL}BENZAMIDE AND ITS MONO HYDROCHLORIDE SALT TAKEDA PHARMACEUTICALS U.S.A., INC. 2021-09-09 US disclosed
US-20210024527-A1 CRYSTALLINE FORMS OF 3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-{4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL}BENZAMIDE AND ITS MONO HYDROCHLORIDE SALT TAKEDA PHARMACEUTICALS U.S.A., INC. 2021-01-28 US disclosed
US-10662197-B2 Crystalline forms of 3-(imidazo[1,2-b)pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide and its mono hydrochloride salt ARIAD PHARMACEUTICALS, INC. (US) 2020-05-26 US disclosed
US-20190169196-A1 CRYSTALLINE FORMS OF 3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-{4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL}BENZAMIDE AND ITS MONO HYDROCHLORIDE SALT TAKEDA PHARMACEUTICALS U.S.A., INC. 2019-06-06 US disclosed
CN-108456163-A Compound and its preparation method and application containing adjacent amino heteroaryl cycloalkynyl radical 中国科学院上海药物研究所 2018-08-28 CN disclosed
US-20170190707-A1 CRYSTALLINE FORMS OF 3-(IMIDAZO[1,2-B] PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-BENZAMIDE AND ITS MONO HYDROCHLORIDE SALT TAKEDA PHARMACEUTICALS U.S.A., INC. 2017-07-06 US disclosed
CN-106699729-A Benzamide compounds containing acetenyl group 浙江大德药业集团有限公司 2017-05-24 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10662197-B2 Crystalline forms of 3-(imidazo[1,2-b)pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide and its mono hydrochloride salt H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TBCA, TUBA3C NR1H2 4511/4885KDM4E 822/4885ALDH1A1 2844/4885
US-20210277012-A1 CRYSTALLINE FORMS OF 3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-{4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL}BENZAMIDE AND ITS MONO HYDROCHLORIDE SALT H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TBCA, SCN3A NR1H2 4494/4885KDM4E 831/4885ALDH1A1 2877/4885
US-20210340149-A1 CRYSTALLINE FORMS OF 3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-{4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL}BENZAMIDE AND ITS MONO HYDROCHLORIDE SALT H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TBCA, SCN3A NR1H2 4494/4885KDM4E 831/4885ALDH1A1 2877/4885
US-20170190707-A1 CRYSTALLINE FORMS OF 3-(IMIDAZO[1,2-B] PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-BENZAMIDE AND ITS MONO HYDROCHLORIDE SALT H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, REN, SCN3A NR1H2 4353/4885KDM4E 1120/4885ALDH1A1 2332/4885
US-20210024527-A1 CRYSTALLINE FORMS OF 3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-{4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL}BENZAMIDE AND ITS MONO HYDROCHLORIDE SALT H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TBCA, SCN3A NR1H2 4494/4885KDM4E 831/4885ALDH1A1 2877/4885
US-11192897-B2 Crystalline forms of 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide and its mono hydrochloride salt H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TBCA, SCN3A NR1H2 4494/4885KDM4E 831/4885ALDH1A1 2877/4885
US-20190169196-A1 CRYSTALLINE FORMS OF 3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-{4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL}BENZAMIDE AND ITS MONO HYDROCHLORIDE SALT H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TBCA, SCN3A NR1H2 4494/4885KDM4E 831/4885ALDH1A1 2877/4885
US-11384086-B2 Crystalline forms of 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-n-{4-[(4-methylpiperazin-1- yl)methyl]-3-(trifluoromethyl)phenyl}benzamide and its mono hydrochloride salt H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TBCA, SCN3A NR1H2 4494/4885KDM4E 831/4885ALDH1A1 2877/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.