SCHEMBL12652759

SCHEMBL12652759

Cc1ccc(C(=O)Cl)cc1C#Cc1cnc2cccnn12

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.66
ROR1 Q01973 6/20 0.64
ABL1 P00519 12/20 0.62
CYP3A4 P08684 2/20 0.55
KCNH2 Q12809 2/20 0.55

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
SCHEMBL29506341 0.90 CSF1R (0.67) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL589881 0.90 CSF1R (0.67) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL15096062 0.90 ROR1 (0.67) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL29493472 0.89 CSF1R (0.66) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL22243490 0.89 CSF1R (0.66) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL12652639 0.87 CSF1R (0.72) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL30010219 0.87 CSF1R (0.72) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL15088585 0.86 CSF1R (0.62) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL22580709 0.85 CSF1R (0.61) CSF1RROR1ABL1CYP3A4KCNH2
SCHEMBL19317721 0.83 ROR1 (0.79) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases ARIAD PHARMACEUTICALS, INC. 2015-04-16 US disclosed
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases ARIAD PHARMACEUTICALS, INC. 2015-04-16 US disclosed
WO-2014093583-A2 SYNTHETIC METHODS FOR PREPARING 3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-{4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL}BENZAMIDE MONO HYDROCHLORIDE, OTHER SALT FORMS OF THIS COMPOUND AND INTERMEDIATES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2014-06-19 WO 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
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
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 (5 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-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-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases BRAF, RAF1, NRAS CSF1R 2599/4885ROR1 263/4885ABL1 75/4885
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES HTT, MAPT, SNCA CSF1R 4129/4885ROR1 4480/4885ABL1 4036/4885
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

“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.