SCHEMBL580124

SCHEMBL580124

O=c1[nH]nc(-c2ccccc2)c2ccsc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.59
ATM Q13315 1/20 0.59
ADORA1 P30542 2/20 0.51
ADORA2A P29274 1/20 0.51
ADORA3 P0DMS8 1/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 2/20 0.44
ALPL P05186 1/20 0.44
GAA P10253 1/20 0.44
IDO1 P14902 1/20 0.44
TTK P33981 1/20 0.44
MAPK10 P53779 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ROCK1 Q13464 6/20 0.43

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
SCHEMBL1786973 0.89 NPSR1 (0.62) NPSR1ATMADORA1ADORA2AADORA3
SCHEMBL1144630 0.84 ADORA2A (0.49) NPSR1ATMADORA1ADORA2AKDM4E
SCHEMBL29870198 0.74 NPSR1 (1.00) NPSR1ATMKDM4EALDH1A1NPC1
SCHEMBL581143 0.74 NPSR1 (1.00) NPSR1ATMKDM4EALDH1A1NPC1
SCHEMBL14911562 0.74 ADORA1 (0.64) NPSR1ATMADORA1ADORA2AADORA3
SCHEMBL25331496 0.74 ADORA2A (0.47) ADORA1ADORA2AKDM4EALDH1A1NPC1
SCHEMBL28882559 0.74 ALDH1A1 (0.53) NPSR1ATMKDM4EALDH1A1NPC1
SCHEMBL24793414 0.72 ADORA2A (0.53) NPSR1ATMADORA1ADORA2AKDM4E
SCHEMBL23461929 0.72 ADORA2A (0.53) NPSR1ATMADORA1ADORA2AADORA3
SCHEMBL8553615 0.71 ADORA1 (0.60) NPSR1ATMADORA1ADORA2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118496166-A Preparation method of phthalazinone compound 五邑大学 2024-08-16 CN disclosed
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 US disclosed
EP-2418209-A1 Aurora kinase modulators and method of use Amgen Inc. (US) 2012-02-15 EP disclosed
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AMGEN INC. (US) 2011-10-27 US disclosed
US-8022221-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-09-20 US disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 US disclosed
US-7560551-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 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 (5 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-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB NPSR1 3589/4885ATM 254/4885ADORA1 413/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 NPSR1 3001/4885ATM 234/4885ADORA1 442/4885
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 NPSR1 505/4885ATM 3548/4885ADORA1 403/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB NPSR1 3589/4885ATM 254/4885ADORA1 413/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB NPSR1 3589/4885ATM 254/4885ADORA1 413/4885

“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.