SCHEMBL2207338

SCHEMBL2207338

O=C(O)c1cnc2cc(Br)cnc2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
AKR1C1 Q04828 3/20 0.41
AKR1C4 P17516 2/20 0.41
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34

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
SCHEMBL8972231 0.80 GABRP (0.41) KDM4EALDH1A1HCAR2GABRPGABRD
SCHEMBL2724263 0.75 HTT (0.45) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
SCHEMBL1141287 0.72 MEN1 (0.42) KDM4EALDH1A1POLBHTTOPRK1
SCHEMBL741418 0.72 HTT (0.55) KDM4EALDH1A1POLBGABRA1GABRG2
SCHEMBL3249138 0.71 ALDH1A1 (0.58) KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL429271 0.71 AKR1C3 (0.48) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
Hydrochloric Acid SCHEMBL11567115 0.70 ALDH1A1 (0.57) KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL732403 0.70 DHODH (0.44) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
SCHEMBL4904323 0.69 AKR1C3 (0.36) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
SCHEMBL1505655 0.69 KDM4E (0.45) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E

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 AKR1C3 515/4885AKR1C2 573/4885AKR1C1 490/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 AKR1C3 515/4885AKR1C2 573/4885AKR1C1 490/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 AKR1C3 515/4885AKR1C2 573/4885AKR1C1 490/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 AKR1C3 515/4885AKR1C2 573/4885AKR1C1 490/4885

“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.