SCHEMBL7672960

SCHEMBL7672960

NC(=O)c1cnnn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.50
HSD11B1 P28845 15/20 0.48
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL2077909 0.85 ALDH1A1 (0.51) HSD11B1ALDH1A1GAA
SCHEMBL13838792 0.82 HSD11B1 (0.55) HSD11B1TSHRALDH1A1GAA
SCHEMBL18307633 0.78 HSD11B1 (0.55) HSD11B1ALDH1A1GAA
SCHEMBL13819946 0.78 ALDH1A1 (0.49) HSD11B1ALDH1A1GAA
SCHEMBL19669151 0.78 TP53 (0.52) HSD11B1KMT2AALDH1A1
SCHEMBL28824097 0.76 BCAT2 (0.53) RIPK2ALDH1A1
SCHEMBL8156087 0.74 TP53 (0.58) KMT2AALDH1A1GAA
SCHEMBL3168308 0.73 POLB (0.53) RIPK2KMT2ATSHRALDH1A1
SCHEMBL29851972 0.73 TSHR (0.44) HSD11B1KMT2ATSHRALDH1A1GAA
SCHEMBL28824098 0.73 BCAT2 (0.45) RIPK2TSHRALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789089-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2017-10-17 US disclosed
US-9789089-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2017-10-17 US disclosed
US-9789089-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2017-10-17 US disclosed
EP-2943487-B1 5-MEMBERED HETEROARYLS AND THEIR USE AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2016-11-16 EP disclosed
EP-2943487-B1 5-MEMBERED HETEROARYLS AND THEIR USE AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2016-11-16 EP disclosed
US-20160067224-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-10 US disclosed
US-20160067224-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-10 US disclosed
US-20160067224-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-10 US disclosed
US-9220710-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-9220710-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-9220710-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
EP-2943487-A1 5-MEMBERED HETEROARYLS AND THEIR USE AS ANTIVIRAL AGENTS Gilead Sciences, Inc. (US) 2015-11-18 EP disclosed
US-20140221421-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
US-20140221421-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
US-20140221421-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
WO-2014110298-A1 5-MEMBERED HETEROARYLS AND THEIR USE AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2014-07-17 WO disclosed
WO-2014110298-A1 5-MEMBERED HETEROARYLS AND THEIR USE AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2014-07-17 WO disclosed
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 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-20160067224-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD RIPK2 3173/4885HSD11B1 915/4885KMT2A 4702/4885
US-20140221421-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD RIPK2 3173/4885HSD11B1 915/4885KMT2A 4702/4885

“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.