SCHEMBL2802744

SCHEMBL2802744

COc1ccc(C)cc1NC(=O)NC1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
TSHR P16473 1/20 0.45
TRPV1 Q8NER1 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
MEN1 O00255 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PAK1 Q13153 2/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
SENP6 Q9GZR1 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 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
SCHEMBL2807861 0.88 PAK1 (0.45) TRPV1PAK1MAPTMAPK1
SCHEMBL2803044 0.79 KMT2A (0.55) KMT2ATSHRMEN1MAPTALDH1A1
SCHEMBL2802669 0.78 EPHX2 (0.50) KMT2AMEN1PAK1MAPTALDH1A1
SCHEMBL2802963 0.78 PAK1 (0.58) TRPV1PAK1
SCHEMBL2804565 0.78 PAK1 (0.42) TRPV1PAK1GAA
SCHEMBL12338144 0.78 PAK1 (0.37) TRPV1PAK1MAPK1
SCHEMBL2488057 0.77 FLT3 (0.46) TRPV1PAK1
SCHEMBL2804446 0.77 PAK1 (0.59) TRPV1KDM4EPAK1ALDH1A1GAA
SCHEMBL2805137 0.77 L3MBTL1 (0.44) KMT2ATSHRMEN1L3MBTL1TP53
SCHEMBL2802488 0.76 PAK1 (0.44) TSHRTRPV1PAK1

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 KMT2A 1795/4885TSHR 4751/4885TRPV1 1732/4885

“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.