SCHEMBL488660

SCHEMBL488660

Nc1ncccc1OCc1c(Cl)ccc(F)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
MAPT P10636 1/20 0.57
MET P08581 5/20 0.56
LTA4H P09960 1/20 0.50
MAPK14 Q16539 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
JAK2 O60674 2/20 0.45
MAP4K3 Q8IVH8 1/20 0.45
SYK P43405 1/20 0.38
SGMS2 Q8NHU3 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL488397 0.92 LTA4H (0.53) RAB9ANPC1MAPTMETLTA4H
SCHEMBL14812299 0.86 MET (0.54) RAB9ANPC1MAPTMETLTA4H
SCHEMBL488813 0.84 RAB9A (0.55) RAB9ANPC1MAPTMETLTA4H
SCHEMBL488951 0.82 NPC1 (0.61) RAB9ANPC1MAPTMETLTA4H
SCHEMBL15779203 0.81 MET (0.50) RAB9ANPC1MAPTMETLTA4H
SCHEMBL9123661 0.80 LTA4H (0.55) RAB9ANPC1MAPTMETLTA4H
SCHEMBL488298 0.79 LTA4H (0.58) RAB9ANPC1MAPTMETLTA4H
SCHEMBL3019351 0.78 LTA4H (0.54) RAB9ANPC1MAPTMETLTA4H
SCHEMBL488754 0.78 NPC1 (0.61) RAB9ANPC1MAPTHTTKDM4E
SCHEMBL6079136 0.78 NPC1 (0.77) RAB9ANPC1MAPTMETLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160206608-A1 CRIZOTINIB FOR USE IN THE TREATMENT OF CANCER PFIZER INC. (US) 2016-07-21 US disclosed
US-20160015702-A1 AMINOHETEROARYL COMPOUNDS AS MTH1 INHIBITORS CEMM - FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GMBH (AT) 2016-01-21 US disclosed
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2014-09-25 US disclosed
EP-2764866-A1 Inhibitors of nedd8-activating enzyme IP Gesellschaft für Management mbH (DE) 2014-08-13 EP disclosed
US-8785632-B2 Enantiomerically pure aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
EP-2739284-A1 CRIZOTINIB FOR USE IN THE TREATMENT OF CANCER Pfizer Inc (US) 2014-06-11 EP disclosed
EP-1603570-B9 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2013-10-23 EP disclosed
EP-1786785-B9 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2013-05-22 EP disclosed
EP-1963302-B1 POLYMORPHS OF A C-MET/HGFR INHIBITOR PFIZER PROD INC (US) 2013-02-27 EP disclosed
WO-2013017989-A1 CRIZOTINIB FOR USE IN THE TREATMENT OF CANCER PFIZER INC. (US) 2013-02-07 WO disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 US disclosed
US-20060178374-A1 Aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. 2006-08-10 US disclosed
US-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. 2006-06-15 US disclosed
US-20060046991-A1 Crizotinib, a c-Met protein kinase inhibitor anticancer agent; 3-[(R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine is crizotinib AGOURON PHARMACEUTICALS, INC. 2006-03-02 US disclosed
WO-2006021884-A2 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 WO disclosed
WO-2006021881-A2 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 WO disclosed
WO-2006021886-A1 AMINOHETEROARYL COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 WO disclosed
EP-1603570-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2005-12-14 EP disclosed
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. 2005-01-13 US disclosed
WO-2004076412-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2004-09-10 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-20160206608-A1 CRIZOTINIB FOR USE IN THE TREATMENT OF CANCER ROS1, ALK, ABL1 RAB9A 1222/4885NPC1 1614/4885MAPT 2976/4885
US-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors MET, MAP3K15, MAP3K19 RAB9A 2293/4885NPC1 3013/4885MAPT 3054/4885
US-20060046991-A1 Crizotinib, a c-Met protein kinase inhibitor anticancer agent; 3-[(R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine is crizotinib ALK, MET, ERBB2 RAB9A 2360/4885NPC1 1623/4885MAPT 2644/4885
US-20160015702-A1 AMINOHETEROARYL COMPOUNDS AS MTH1 INHIBITORS MTHFD1, NUDT15, NUDT1 RAB9A 3406/4885NPC1 299/4885MAPT 1118/4885
US-20060178374-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP3K15, CDC42BPA RAB9A 2192/4885NPC1 3401/4885MAPT 2603/4885
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer MET, ERBB2, CDK4 RAB9A 2731/4885NPC1 4515/4885MAPT 2514/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 RAB9A 2752/4885NPC1 3437/4885MAPT 2035/4885
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS MET, MAP3K15, MAP3K1 RAB9A 2368/4885NPC1 2029/4885MAPT 2839/4885

“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.