SCHEMBL3358801

SCHEMBL3358801

O=C1[N]C=Cc2ccncc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CDC25B P30305 1/20 0.38
TP53 P04637 3/20 0.35
CYP3A4 P08684 3/20 0.35
MAPT P10636 3/20 0.35
CASP1 P29466 3/20 0.35
BLM P54132 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CASP7 P55210 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RPS6KA3 P51812 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL21332894 0.72 MAOA (0.43) MAOAMAOBCDC25BTP53CYP3A4
SCHEMBL2657717 0.71 MAOA (0.42) MAOAMAOBCDC25BTP53CYP3A4
SCHEMBL72253 0.70
SCHEMBL23645371 0.69 MAOA (0.41) MAOAMAOBCDC25BTP53CYP3A4
Hydrochloric Acid SCHEMBL7086045 0.69 MAOA (0.41) MAOAMAOBCDC25BTP53CYP3A4
SCHEMBL6192867 0.67 MAOA (0.38) MAOAMAOBCDC25BTP53CYP3A4
SCHEMBL71577 0.66
SCHEMBL7232074 0.63 MAOA (0.52) MAOAMAOBCDC25BTP53CYP3A4
SCHEMBL6186385 0.63 MAOA (0.52) MAOAMAOBCDC25BTP53CYP3A4
SCHEMBL20618218 0.61 MAOA (0.77) MAOAMAOBCDC25BTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
EP-3070081-A1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION Gilead Sciences, Inc. (US) 2016-09-21 EP disclosed
EP-2788336-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2016-03-02 EP disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 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 (3 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MAOA 1118/4885MAOB 802/4885CDC25B 2332/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MAOA 1118/4885MAOB 802/4885CDC25B 2332/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MAOA 1118/4885MAOB 802/4885CDC25B 2332/4885

“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.