SCHEMBL2806213

SCHEMBL2806213

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 2/20 0.49
RAF1 P04049 1/20 0.49
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
PDGFRA P16234 1/20 0.49
KDR P35968 1/20 0.49
FLT3 P36888 1/20 0.49
TRPV1 Q8NER1 8/20 0.48
PAK1 Q13153 2/20 0.48
MAPT P10636 1/20 0.47
CCR2 P41597 1/20 0.46
KCNH2 Q12809 1/20 0.46
LIMK1 P53667 1/20 0.46
LIMK2 P53671 1/20 0.46
CDK1 P06493 1/20 0.45
IGF1R P08069 1/20 0.45
FGFR1 P11362 1/20 0.45
BRAF P15056 1/20 0.45
FGFR4 P22455 1/20 0.45
FGFR3 P22607 1/20 0.45

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
SCHEMBL2803705 0.86 MAPT (0.51) TRPV1PAK1MAPTCCR2KCNH2
SCHEMBL12342043 0.84 MEN1 (0.55) PDGFRBKITTRPV1PAK1MAPT
SCHEMBL2802923 0.84 TRPV1 (0.58) PDGFRBKITKDRFLT3TRPV1
SCHEMBL2805093 0.83 PAK1 (0.44) TRPV1PAK1
SCHEMBL2805002 0.82 PAK1 (0.60) PAK1MAPTLIMK1LIMK2SMN1; SMN2
SCHEMBL2802586 0.82 FLT3 (0.47) FLT3TRPV1PAK1
SCHEMBL2803935 0.82 NPC1 (0.58) TRPV1PAK1MAPTSMN1; SMN2
SCHEMBL2804559 0.81 TRPV1 (0.46) PDGFRBTRPV1PAK1NPSR1
SCHEMBL2803952 0.81 TRPV1 (0.56) FLT3TRPV1PAK1MAPTSMN1; SMN2
SCHEMBL2804417 0.80 PAK1 (0.54) PDGFRBKDRFLT3TRPV1PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 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 (1 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 FGFR2 863/4885RAF1 1143/4885PDGFRB 1363/4885

“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.