SCHEMBL2802586

SCHEMBL2802586

O=C(Nc1ccc(C(F)(F)F)cc1Cl)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.47
PAK1 Q13153 5/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
TRPV1 Q8NER1 9/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
CSNK1D P48730 1/20 0.44
CSNK1E P49674 1/20 0.44
ACHE P22303 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL2804401 0.84 PAK1 (0.59) PAK1TRPV1TAS1R3TAS1R1TAS1R2
SCHEMBL2802923 0.84 TRPV1 (0.58) FLT3PAK1TRPV1
SCHEMBL2806213 0.82 FGFR2 (0.49) FLT3PAK1TRPV1
SCHEMBL2804570 0.81 PAK1 (0.49) PAK1TRPV1TAS1R3TAS1R1TAS1R2
SCHEMBL2804206 0.81 RAB9A (0.46) PAK1TRPV1TAS1R3TAS1R1TAS1R2
SCHEMBL2804417 0.80 PAK1 (0.54) FLT3PAK1TRPV1
SCHEMBL13273693 0.80 TRPM8 (0.45) TRPM8TRPV1TAS1R3TAS1R1TAS1R2
SCHEMBL2803705 0.79 MAPT (0.51) PAK1TRPV1
SCHEMBL12342043 0.78 MEN1 (0.55) PAK1TRPV1TAS1R3TAS1R1TAS1R2
SCHEMBL2804209 0.78 TRPV1 (0.54) PAK1TRPM8TRPV1

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 6 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

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 FLT3 1163/4885PAK1 717/4885TRPM8 4166/4885

“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.