SCHEMBL2404513

SCHEMBL2404513

Nc1nnc(-c2ccsc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ADORA1 P30542 2/20 0.43
ADORA2A P29274 1/20 0.43
CYP2A6 P11509 4/20 0.42
CYP2B6 P20813 2/20 0.42
CYP2E1 P05181 1/20 0.42
TDO2 P48775 2/20 0.42
ATR Q13535 1/20 0.40
ADK P55263 1/20 0.37
NQO2 P16083 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGER1 P34995 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL13996078 0.84 CYP2A6 (0.57) ADORA1ADORA2ACYP2A6CYP2B6CYP2E1
SCHEMBL9253635 0.79 CYP2A6 (0.42) KDM4EADORA1ADORA2ACYP2A6CYP2B6
SCHEMBL31132418 0.77 KDM4E (0.65) KDM4EADORA1ADORA2A
SCHEMBL219856 0.77 KDM4E (0.65) KDM4EADORA1ADORA2A
SCHEMBL9775493 0.77 KDM4E (0.58) KDM4EADORA1ADORA2A
SCHEMBL31416835 0.72 KDM4E (1.00) KDM4ENQO2KCNH2CYP3A4
SCHEMBL221530 0.72 KDM4E (1.00) KDM4ENQO2KCNH2CYP3A4
SCHEMBL978689 0.71 CSNK1A1 (0.56) ADORA1ADORA2ACYP2A6CYP2B6CYP2E1
SCHEMBL14959329 0.71 KDM4E (0.56) KDM4EADORA1ADORA2ACYP3A4CYP2C19
SCHEMBL13603540 0.71 ALDH1A1 (0.60) KDM4EADORA2A

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-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US 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-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
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 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 (4 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 KDM4E 1066/4885ADORA1 413/4885ADORA2A 749/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 KDM4E 1519/4885ADORA1 442/4885ADORA2A 583/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB KDM4E 1066/4885ADORA1 413/4885ADORA2A 749/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB KDM4E 1066/4885ADORA1 413/4885ADORA2A 749/4885

“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.