SCHEMBL2804624

SCHEMBL2804624

CCc1ccc(S(=O)(=O)NC2CCc3c(cnc4[nH]ncc34)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.42
TBXA2R P21731 4/20 0.39
RB1 P06400 1/20 0.38
TBXAS1 P24557 4/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2804951 0.89 ALDH1A1 (0.44) KITTBXA2RRB1TBXAS1ALDH1A1
SCHEMBL2803517 0.89 RB1 (0.40) TBXA2RRB1TBXAS1ALDH1A1MEN1
SCHEMBL2805699 0.87 RB1 (0.52) KITTBXA2RRB1
SCHEMBL2489862 0.86 RB1 (0.43) TBXA2RRB1TBXAS1ALDH1A1LMNA
SCHEMBL2803976 0.86 TBXA2R (0.42) KITTBXA2RRB1ALDH1A1LMNA
SCHEMBL2803941 0.85 ALDH1A1 (0.49) TBXA2RRB1ALDH1A1LMNAGAA
SCHEMBL2806129 0.84 KCNH2 (0.41) TBXA2RRB1
SCHEMBL2803968 0.83 KMT2A (0.53) TBXA2RALDH1A1GAAMEN1KMT2A
SCHEMBL2809052 0.83 KIT (0.43) KITRB1
SCHEMBL2804986 0.83 PDE4B (0.35) ALDH1A1

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 KIT 655/4885TBXA2R 947/4885RB1 78/4885

“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.