SCHEMBL9911038

SCHEMBL9911038

CC(C)(C)c1ccnc2cccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
CDK8 P49336 2/20 0.37
ROCK1 Q13464 2/20 0.37
DYRK1A Q13627 2/20 0.37
CHEK1 O14757 1/20 0.37
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.37
PRKACA P17612 1/20 0.37
KDR P35968 1/20 0.37
MAP2K1 Q02750 1/20 0.37
ACVR1 Q04771 1/20 0.37
MAP4K2 Q12851 1/20 0.37
AURKB Q96GD4 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
FLT1 P17948 1/20 0.37
CDK9 P50750 1/20 0.37
LIMK1 P53667 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
SSTR4 P31391 1/20 0.34
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL10327460 0.85 CDK8 (0.49) ADORA3CDK8ROCK1DYRK1ACHEK1
SCHEMBL12604003 0.85 ADORA3 (0.39) ADORA3CDK8ROCK1DYRK1ACHEK1
SCHEMBL9609560 0.77 SSTR4 (0.48) ADORA3DYRK1ASSTR4KDM4EKMT2A
SCHEMBL15233358 0.74 ADORA3 (0.52) ADORA3CDK8ROCK1DYRK1ACHEK1
SCHEMBL21672752 0.73 GABRA1 (0.31)
SCHEMBL12395090 0.72 EGLN2 (0.38) DYRK1AKDM4EKMT2AATMMEN1
SCHEMBL23232278 0.70 CDK8 (0.46) ADORA3CDK8ROCK1DYRK1ACHEK1
SCHEMBL13431462 0.69 NR3C1 (0.31) CDK8ROCK1DYRK1ACHEK1MAP4K4
SCHEMBL18237968 0.69 ADORA3 (0.52) ADORA3CDK8ROCK1DYRK1ACHEK1
SCHEMBL10281041 0.69 ADORA3 (0.47) ADORA3CDK8ROCK1DYRK1ACHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524900-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2013-09-03 US disclosed
US-8217177-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-10 US disclosed
US-8212041-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-03 US disclosed
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-06-14 US disclosed
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-06-14 US disclosed
US-8198448-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-06-12 US disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 US disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
US-20090124612-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 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 (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-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET ADORA3 3524/4885CDK8 1344/4885ROCK1 2186/4885
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET ADORA3 3524/4885CDK8 1344/4885ROCK1 2186/4885
US-20090124612-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET ADORA3 3524/4885CDK8 1344/4885ROCK1 2186/4885
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS HGF, HGFAC, MET ADORA3 3918/4885CDK8 231/4885ROCK1 708/4885
US-20090124609-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET ADORA3 3524/4885CDK8 1344/4885ROCK1 2186/4885

“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.