SCHEMBL2804911

SCHEMBL2804911

O=C(Nc1ccc(C(F)(F)F)cc1Cl)NC1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.50
TRPV1 Q8NER1 15/20 0.46
PAK1 Q13153 4/20 0.44
PAK3 O75914 1/20 0.42
PAK2 Q13177 1/20 0.42

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
SCHEMBL2802963 0.85 PAK1 (0.58) TRPV1PAK1
SCHEMBL2808069 0.84 EPHX2 (0.53) FLT3TRPV1PAK1PAK3PAK2
SCHEMBL2804492 0.81 PAK1 (0.49) TRPV1PAK1
SCHEMBL2807861 0.81 PAK1 (0.45) TRPV1PAK1
SCHEMBL2802939 0.79 HDAC8 (0.39) FLT3TRPV1PAK1
SCHEMBL2806156 0.78 EPHX2 (0.49) FLT3TRPV1PAK1PAK3PAK2
SCHEMBL2804161 0.77 ALDH1A1 (0.39) PAK1
SCHEMBL2802586 0.77 FLT3 (0.47) FLT3TRPV1PAK1
SCHEMBL2488057 0.77 FLT3 (0.46) FLT3TRPV1PAK1
SCHEMBL2804431 0.77 TRPV1 (0.45) TRPV1PAK1PAK3PAK2

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 FLT3 1163/4885TRPV1 1732/4885PAK1 717/4885

“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.