SCHEMBL580400

SCHEMBL580400

CCc1cc(-c2ccccc2)nnc1Nc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
GAA P10253 5/20 0.45
NPSR1 Q6W5P4 2/20 0.44
ESRRB O95718 1/20 0.44
ESR1 P03372 1/20 0.44
ESRRA P11474 1/20 0.44
ESR2 Q92731 1/20 0.44
ALOX5 P09917 1/20 0.44
AMY1A P0DUB6 1/20 0.44
VCP P55072 1/20 0.44
ENPP3 O14638 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL581610 0.84 MAPT (0.51) GAANPSR1ALOX5MEN1KMT2A
SCHEMBL1752934 0.71 NPC1 (0.49) LMNA
SCHEMBL1752972 0.70 ACHE (0.50) GAAMEN1KMT2AABCG2MAPT
SCHEMBL581419 0.68 CASP1 (0.53) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL13632591 0.68 VCP (0.58) GAANPSR1ALOX5AMY1AVCP
SCHEMBL20869723 0.67 ESR1 (0.78) ESRRBESR1ESRRAESR2MEN1
SCHEMBL581896 0.67 GAA (0.91) GAANPSR1ENPP3MEN1KMT2A
Hydrochloric Acid SCHEMBL580605 0.66 GAA (0.88) GAANPSR1ENPP3MEN1KMT2A
SCHEMBL7438450 0.66 MAPT (0.40) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL10656197 0.65 MMP3 (0.71) GAANPSR1ESR1ESR2ALOX5

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 39 patents — showing the first 20. 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-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US 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-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US disclosed
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 WO disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US 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
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-20140336182-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, CDK1 AURKA 2/4885GAA 1887/4885NPSR1 2810/4885
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB AURKA 2/4885GAA 2959/4885NPSR1 3589/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 AURKA 2/4885GAA 1887/4885NPSR1 2810/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 AURKA 2/4885GAA 2062/4885NPSR1 3001/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB AURKA 2/4885GAA 2959/4885NPSR1 3589/4885

“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.