SCHEMBL2803705

SCHEMBL2803705

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
PAK1 Q13153 2/20 0.50
GPR142 Q7Z601 2/20 0.47
MAOB P27338 1/20 0.46
LMNA P02545 1/20 0.46
TRPV1 Q8NER1 6/20 0.45
CCR2 P41597 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL2805093 0.91 PAK1 (0.44) PAK1MAOBTRPV1
SCHEMBL12342043 0.88 MEN1 (0.55) MAPTPAK1LMNATRPV1
SCHEMBL2805002 0.87 PAK1 (0.60) MAPTPAK1GPR142LMNA
SCHEMBL2806213 0.86 FGFR2 (0.49) MAPTPAK1TRPV1CCR2KCNH2
SCHEMBL2803952 0.85 TRPV1 (0.56) MAPTPAK1GPR142LMNATRPV1
SCHEMBL2803935 0.84 NPC1 (0.58) MAPTPAK1LMNATRPV1
SCHEMBL2805021 0.84 PAK1 (0.43) PAK1TRPV1
SCHEMBL2804559 0.83 TRPV1 (0.46) PAK1TRPV1
SCHEMBL2486602 0.82 RAB9A (0.55) PAK1TRPV1
SCHEMBL2808039 0.81 PAK1 (0.46) PAK1TRPV1

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 MAPT 3332/4885PAK1 717/4885GPR142 3316/4885

“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.