SCHEMBL12652639

SCHEMBL12652639

COC(=O)c1ccc(C)c(C#Cc2cnc3cccnn23)c1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.72
ROR1 Q01973 8/20 0.64
ABL1 P00519 11/20 0.63
CYP3A4 P08684 1/20 0.54
KCNH2 Q12809 1/20 0.54

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 1.00 CSF1R (0.72) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL589881 0.88 CSF1R (0.67) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL15096062 0.88 ROR1 (0.67) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL29506341 0.88 CSF1R (0.67) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL22243490 0.87 CSF1R (0.66) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL29493472 0.87 CSF1R (0.66) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL15088585 0.84 CSF1R (0.62) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL23790315 0.84 CSF1R (0.52) CSF1RROR1ABL1
SCHEMBL19317721 0.84 ROR1 (0.79) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL22580709 0.84 CSF1R (0.61) CSF1RROR1ABL1CYP3A4KCNH2

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199626-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-06-20 US disclosed
EP-4326269-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS Oregon Health & Science University (US) 2024-02-28 EP disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
WO-2022225972-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-10-27 WO disclosed
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
WO-2022129913-A1 ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 WO disclosed
EP-3986559-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-04-27 EP disclosed
CN-114340734-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-04-12 CN disclosed
US-11192895-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-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES ARIAD PHARMACEUTICALS, INC. (US) 2014-02-13 US disclosed
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES ARIAD PHARMACEUTICALS, INC. (US) 2014-02-13 US disclosed
WO-2013162727-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES ARIAD PHARMACEUTICALS, INC. (US) 2013-10-31 WO disclosed
US-20130178622-A1 Methods and Compositions for Treating Cancer ARIAD PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
US-20130178622-A1 Methods and Compositions for Treating Cancer ARIAD PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
WO-2013101281-A1 METHODS AND COMPOSITIONS FOR TREATING PARKINSON'S DISEASE ARIAD PHARMACEUTICALS, INC. (US) 2013-07-04 WO disclosed
US-20120316137-A1 Methods and Compositions for Treating Cancer ARIAD PHARMACEUTICALS, INC. (US) 2012-12-13 US disclosed
WO-2011053938-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER ARIAD PHARMACEUTICALS, INC. (US) 2011-05-05 WO 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-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease PARK7, SNCA, HTT CSF1R 4420/4885ROR1 3813/4885ABL1 2649/4885
US-11192895-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
US-20120316137-A1 Methods and Compositions for Treating Cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, MKI67 CSF1R 4566/4885ROR1 4639/4885ABL1 140/4885
US-20240199626-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS SMN1; SMN2, MCL1, NLN CSF1R 1084/4885ROR1 4132/4885ABL1 76/4885
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES HTT, MAPT, SNCA CSF1R 4129/4885ROR1 4480/4885ABL1 4036/4885
US-20230014226-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK CSF1R 4175/4885ROR1 19/4885ABL1 2/4885
US-20130178622-A1 Methods and Compositions for Treating Cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, MKI67 CSF1R 4566/4885ROR1 4639/4885ABL1 140/4885
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 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.