SCHEMBL2208967

SCHEMBL2208967

O=c1cc[nH]c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
CRHBP P24387 1/20 0.64
CRHR2 Q13324 1/20 0.64
HSD17B10 Q99714 2/20 0.47
KIF11 P52732 1/20 0.43
CES1 P23141 1/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
TRPV1 Q8NER1 2/20 0.38
GPR3 P46089 1/20 0.38
DAO P14920 1/20 0.38
GOT1 P17174 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL21145515 0.87 HSD17B10 (0.59) KDM4ECRHBPCRHR2HSD17B10KIF11
SCHEMBL6002946 0.78 ALDH1A1 (0.58) KDM4EHSD17B10ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1196876 0.76 ABL1 (0.52) KDM4ECRHBPCRHR2KIF11GAA
SCHEMBL16676258 0.74 KDM4E (0.46) KDM4ECRHBPCRHR2KIF11CES1
SCHEMBL19211173 0.74 RHEB (0.53) KMT2A
SCHEMBL25494149 0.74 MAOB (0.52) KDM4ECRHBPCRHR2HSD17B10HTR1A
SCHEMBL29799131 0.73 KIF11 (0.66) KDM4ECRHBPCRHR2HSD17B10KIF11
SCHEMBL7290719 0.73 HTR1D (0.52) KDM4EHTR1AALDH1A1GAA
SCHEMBL30278196 0.73 MEN1 (0.59) KDM4ECRHBPCRHR2HSD17B10KIF11
SCHEMBL981786 0.73 MEN1 (0.59) KDM4ECRHBPCRHR2HSD17B10KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 US disclosed
US-7981891-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-07-19 US disclosed
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2010-11-04 US disclosed
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 US disclosed
EP-2137177-A2 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2009-12-30 EP disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 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 (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-20140336182-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, CDK1 KDM4E 1131/4885CRHBP 4595/4885CRHR2 4229/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 KDM4E 1131/4885CRHBP 4595/4885CRHR2 4229/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 KDM4E 1131/4885CRHBP 4595/4885CRHR2 4229/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 KDM4E 1131/4885CRHBP 4595/4885CRHR2 4229/4885

“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.