SCHEMBL2806855

SCHEMBL2806855

O=C(Nc1cccc(SC(F)(F)F)c1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 3/20 0.43
TRPV1 Q8NER1 6/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
CHRM1 P11229 3/20 0.41
MAPT P10636 1/20 0.41
DRD2 P14416 2/20 0.41
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2803023 0.88 MAPT (0.55) PAK1TRPV1NPC1RAB9AMAPT
SCHEMBL2802923 0.86 TRPV1 (0.58) PAK1TRPV1MAPTPDGFRBKDR
SCHEMBL2803952 0.85 TRPV1 (0.56) PAK1TRPV1NPC1RAB9AMAPT
SCHEMBL2805002 0.83 PAK1 (0.60) PAK1NPC1RAB9AMAPTCASP3
SCHEMBL2805561 0.83 KDR (0.51) PAK1TRPV1NPC1RAB9APDGFRB
SCHEMBL2806010 0.83 TRPV1 (0.56) PAK1TRPV1NPC1RAB9AMAPT
SCHEMBL2486602 0.83 RAB9A (0.55) PAK1TRPV1NPC1RAB9APDGFRB
SCHEMBL2487737 0.83 NPC1 (0.49) PAK1TRPV1NPC1RAB9APDGFRB
SCHEMBL2806850 0.83 RAB9A (0.60) PAK1TRPV1NPC1RAB9AMAPT
SCHEMBL2802299 0.81 NPC1 (0.61) PAK1NPC1RAB9AMAPT

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 PAK1 717/4885TRPV1 1732/4885NPC1 205/4885

“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.