SCHEMBL4428792

SCHEMBL4428792

CC(C)Oc1ccccc1-c1cc(Cl)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
CDK9 P50750 2/20 0.41
CCNT1 O60563 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CHRNA7 P36544 2/20 0.40
KMO O15229 1/20 0.40
MAPK14 Q16539 2/20 0.40
GCGR P47871 1/20 0.40
CLK4 Q9HAZ1 7/20 0.40
CYP1A2 P05177 6/20 0.40
CYP2C19 P33261 6/20 0.40
ALDH1A1 P00352 5/20 0.40
TP53 P04637 4/20 0.40
MAPK1 P28482 4/20 0.40
CYP3A4 P08684 4/20 0.40
USP2 O75604 2/20 0.40
CDC7 O00311 1/20 0.40

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
SCHEMBL1854401 0.83 ALOX5AP (0.51) EGFRCDK9CCNT1ALOX5APFEN1
SCHEMBL1850151 0.83 HSP90AA1 (0.59) CDK9CCNT1HSP90AA1HSP90AB1CHRNA7
SCHEMBL2988060 0.80 CLK4 (0.43) EGFRCDK9CCNT1HSP90AA1HSP90AB1
SCHEMBL4431846 0.77 CYP1A2 (0.44) HSP90AA1HSP90AB1CHRNA7CLK4CYP1A2
SCHEMBL2985808 0.75 BRD4 (0.50) CDK9CCNT1CLK4CYP1A2CYP2C19
SCHEMBL14661164 0.75 KMO (0.68) KMO
SCHEMBL2993281 0.73 HSP90AA1 (0.44) EGFRCDK9CCNT1HSP90AA1HSP90AB1
SCHEMBL4103611 0.72 CYP1A2 (0.60) CDK9CCNT1CLK4CYP1A2CYP2C19
SCHEMBL8227740 0.72 ADRA2A (0.59) ALOX5APFEN1HSP90AA1CHRNA7CYP1A2
SCHEMBL3632568 0.72 IRAK4 (0.50) ALOX5APFEN1MAPK14GCGRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-19 US disclosed
US-8507498-B2 4, 6-disubstituted aminopyrimidine derivatives as inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-13 US disclosed
US-8507498-B2 4, 6-disubstituted aminopyrimidine derivatives as inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-13 US disclosed
EP-2137166-B1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2012-05-30 EP disclosed
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2011-12-15 US disclosed
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2011-12-15 US disclosed
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2011-12-15 US disclosed
EP-2137166-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP disclosed
WO-2008129080-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 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 (2 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-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK2, CDK6, CDK5 EGFR 1885/4885CDK9 8/4885CCNT1 45/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 EGFR 1589/4885CDK9 7/4885CCNT1 45/4885

“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.