SCHEMBL2809052

SCHEMBL2809052

O=S(=O)(NC1CCc2c(cnc3[nH]ncc23)C1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIT P10721 9/20 0.43
GRIN2B Q13224 1/20 0.42
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
DPP4 P27487 6/20 0.39
DPP7 Q9UHL4 6/20 0.39
KCNH2 Q12809 2/20 0.39
PAX8 Q06710 1/20 0.39
RB1 P06400 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2806129 0.87 KCNH2 (0.41) GRIN2BKCNH2RB1
SCHEMBL2803976 0.87 TBXA2R (0.42) KITRB1
SCHEMBL2805699 0.86 RB1 (0.52) KITRB1
SCHEMBL2804951 0.84 ALDH1A1 (0.44) KITGRIN2BRB1
SCHEMBL2803517 0.84 RB1 (0.40) RB1
SCHEMBL2489862 0.84 RB1 (0.43) RB1
SCHEMBL2804624 0.83 KIT (0.42) KITRB1
SCHEMBL2806003 0.83 MCHR1 (0.41) RB1
SCHEMBL2807111 0.82 KMT2A (0.50) RB1
SCHEMBL2804187 0.81 CYP3A4 (0.44) KIT

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 655/4885GRIN2B 2425/4885ABL1 15/4885

“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.