SCHEMBL23790315

SCHEMBL23790315

COC(=O)c1ccc(C)c(C#Cc2cnc3ccc(C)nn23)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.52
ROR1 Q01973 6/20 0.47
ABL1 P00519 8/20 0.46
RET P07949 3/20 0.43
KIT P10721 1/20 0.41
DDR1 Q08345 1/20 0.41

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
SCHEMBL30010219 0.84 CSF1R (0.72) CSF1RROR1ABL1
SCHEMBL12652639 0.84 CSF1R (0.72) CSF1RROR1ABL1
SCHEMBL24925257 0.79 CSF1R (0.51) CSF1RROR1ABL1RETKIT
SCHEMBL24538489 0.75 ABL1 (0.53) CSF1RROR1ABL1RETKIT
SCHEMBL29652093 0.75 ABL1 (0.53) CSF1RROR1ABL1RETKIT
SCHEMBL26260034 0.72 ABL1 (0.45) CSF1RROR1ABL1KITDDR1
SCHEMBL15096062 0.71 ROR1 (0.67) CSF1RROR1ABL1RETKIT
SCHEMBL29506341 0.71 CSF1R (0.67) CSF1RROR1ABL1
SCHEMBL27974670 0.71 KIT (0.76) KITDDR1
SCHEMBL24528541 0.71 LCK (0.57) CSF1RABL1KITDDR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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

For each of this compound's patents that has machine-readable text (2 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-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 CSF1R 4497/4885ROR1 2281/4885ABL1 362/4885
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 CSF1R 4497/4885ROR1 2281/4885ABL1 362/4885

“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.