SCHEMBL2207192

SCHEMBL2207192

Cc1noc(-c2cc3nccc(Sc4ccc(Nc5nnc(-c6ccccc6)c6ccccc56)cc4)c3s2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
TPX2 Q9ULW0 1/20 0.38
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ENPP3 O14638 2/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PDE5A O76074 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3699814 0.94 ENPP3 (0.41) ALDH1A1NPC1RAB9APOLBKMT2A
SCHEMBL3706066 0.84 AURKA (0.46) ALDH1A1NPC1RAB9AAURKAAURKB
SCHEMBL3704158 0.79 KDR (0.42) AURKAAURKBTPX2POLBENPP3
SCHEMBL3707231 0.79 ENPP3 (0.43) ALDH1A1NPC1RAB9AAURKAAURKB
SCHEMBL3699414 0.78 KDR (0.47) ALDH1A1POLBKMT2AENPP3MAPT
SCHEMBL15663388 0.77 KDR (0.57) ALDH1A1NPC1RAB9APOLBKMT2A
SCHEMBL2210377 0.75 ENPP3 (0.50) ALDH1A1NPC1RAB9AAURKAAURKB
SCHEMBL3700725 0.75 ENPP3 (0.46) ALDH1A1NPC1RAB9AAURKAAURKB
SCHEMBL15663307 0.73 KDR (0.47) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL15663527 0.73 ENPP3 (0.46) ALDH1A1POLBKMT2AMEN1ENPP3

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 12 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 claimed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 US claimed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US claimed
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US 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 ALDH1A1 2075/4885NPC1 1144/4885RAB9A 1587/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 ALDH1A1 2075/4885NPC1 1144/4885RAB9A 1587/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 ALDH1A1 2075/4885NPC1 1144/4885RAB9A 1587/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 ALDH1A1 2075/4885NPC1 1144/4885RAB9A 1587/4885

“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.