SCHEMBL1267545

SCHEMBL1267545

NC(c1ccc(Cc2c[nH]c3ncccc23)cn1)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 3/20 0.50
▸ GPR84 Q9NQS5 2/20 0.49
▸ CSF1R P07333 1/20 0.48
▸ KIT P10721 1/20 0.48
▸ FGFR1 P11362 1/20 0.43
▸ FGFR4 P22455 1/20 0.43
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ DRD4 P21917 3/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ CCNE1 P24864 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDPK1 O15530 1/20 0.34

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
SCHEMBL857205 0.79 MET (0.60) METGPR84CSF1RKITFGFR1
SCHEMBL3813831 0.75 MET (0.65) METGPR84CSF1RKITFGFR1
SCHEMBL15316814 0.74 MET (0.52) METGPR84CSF1RKITFGFR1
SCHEMBL857120 0.74 CSF1R (0.68) METGPR84CSF1RKITFGFR1
SCHEMBL14198425 0.73 GPR84 (0.67) METGPR84CSF1RKITFGFR1
SCHEMBL1266649 0.72 MET (0.65) METGPR84CSF1RKITFGFR1
SCHEMBL857259 0.72 MET (0.65) METGPR84CSF1RKITFGFR1
SCHEMBL15267142 0.71 MET (0.77) METGPR84CSF1RKITFGFR1
SCHEMBL1267570 0.71 CSF1R (0.54) METGPR84CSF1RKITFGFR1
SCHEMBL3769641 0.71 MET (0.63) METGPR84CSF1RKITFGFR1

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-7947708-B2 Compounds modulating C-kit activity PLEXXIKON, INC. (US) 2011-05-24 — — US claimed
US-20110230482-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY PLEXXIKON INC. 2011-09-22 — — US disclosed
US-20110166174-A1 COMPOUNDS MODULATING C-KIT AND C-FMS ACTIVITY AND USES THEREFOR PLEXXIKON, INC. 2011-07-07 — — US disclosed
US-7947708-B2 Compounds modulating C-kit activity PLEXXIKON, INC. (US) 2011-05-24 — — US disclosed
US-7893075-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON, INC. (US) 2011-02-22 — — US disclosed
US-7846941-B2 Compounds modulating c-kit and c-fms activity and uses therefor PLEXXIKON, INC. (US) 2010-12-07 — — US disclosed
US-20090105297-A1 Compounds Modulating C-Kit Activity PLEXXIKON INC 2009-04-23 — — US disclosed
US-7498342-B2 Compounds modulating c-kit activity PLEXXIKON, INC. (US) 2009-03-03 — — US disclosed
US-20070032519-A1 Compounds modulating c-kit and c-fms activity and uses therefor PLEXXIKON, INC. 2007-02-08 — — US disclosed
US-20060058340-A1 Compounds modulating c-kit activity PLEXXIKON INC. 2006-03-16 — — 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 (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-20060058340-A1 Compounds modulating c-kit activity KIT, CDC7, CDK7 MET 438/4885GPR84 333/4885CSF1R 363/4885
US-20110166174-A1 COMPOUNDS MODULATING C-KIT AND C-FMS ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 MET 64/4885GPR84 191/4885CSF1R 7/4885
US-20110230482-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY KIT, FLT3, FER MET 48/4885GPR84 267/4885CSF1R 10/4885
US-20090105297-A1 Compounds Modulating C-Kit Activity KIT, CDC7, CDK7 MET 438/4885GPR84 333/4885CSF1R 363/4885
US-20070032519-A1 Compounds modulating c-kit and c-fms activity and uses therefor KIT, FLT3, FLT1 MET 64/4885GPR84 191/4885CSF1R 7/4885

“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.

Send feedback