SCHEMBL336653

SCHEMBL336653

COC(=O)c1ncc(-c2ccccc2)nc1N

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 14/20 0.53
PRKDC P78527 8/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ASIC3 Q9UHC3 1/20 0.51
IKBKB O14920 1/20 0.48
ATM Q13315 2/20 0.46
ATRIP Q8WXE1 1/20 0.46
CYP3A4 P08684 1/20 0.45

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
SCHEMBL3462566 0.90 ATR (0.66) ATRPRKDCATMATRIPCYP3A4
SCHEMBL29410008 0.85 IKBKB (0.44) ATRPRKDCKDM4EASIC3IKBKB
SCHEMBL22712516 0.85 IKBKB (0.44) ATRPRKDCKDM4EASIC3IKBKB
SCHEMBL319167 0.83 ASIC3 (0.57) ATRPRKDCASIC3IKBKBATM
SCHEMBL6057019 0.82 PDCD1 (0.48) ATRPRKDCSMN1; SMN2KDM4EALDH1A1
SCHEMBL336700 0.81 SMN1; SMN2 (0.48) ATRPRKDCSMN1; SMN2KDM4EALDH1A1
SCHEMBL3461817 0.81 IKBKB (0.49) ATRPRKDCSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL28324236 0.80 IKBKB (0.58) ATRPRKDCASIC3IKBKBATM
SCHEMBL3461782 0.79 IKBKB (0.48) ATRPRKDCSMN1; SMN2KDM4EALDH1A1
SCHEMBL3460430 0.78 IKBKB (0.53) ATRPRKDCSMN1; SMN2KDM4EALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-8097620-B2 Diazaquinolones that inhibit prolyl hydroxylase activity AMGEN INC. (US) 2012-01-17 US disclosed
EP-2155746-A2 DIAZAQUINOLONES THAT INHIBIT PROLYL HYDROXYLASE ACTIVITY Amgen, Inc (US) 2010-02-24 EP disclosed
US-20090099171-A1 Diazaquinolones that inhibit prolyl hydroxylase activity AMGEN INC. (US) 2009-04-16 US disclosed
WO-2008137084-A2 DIAZAQUINOLONES THAT INHIBIT PROLYL HYDROXYLASE ACTIVITY AMGEN INC. (US) 2008-11-13 WO disclosed
US-3932404-A REACTION WITH AMMONIA AND A BASIC AGENT PECHINEY UGINE KUHLMANN (FR) 1976-01-13 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 (2 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-20090099171-A1 Diazaquinolones that inhibit prolyl hydroxylase activity EGLN3, EGLN2, HIF1AN ATR 4029/4885PRKDC 3475/4885SMN1; SMN2 4448/4885
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 ATR 4853/4885PRKDC 4822/4885SMN1; SMN2 4592/4885

“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.