SCHEMBL2993281

SCHEMBL2993281

COc1cccc(-c2cc(Cl)ncn2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
CYP1A2 P05177 10/20 0.44
CYP2C19 P33261 10/20 0.44
CLK4 Q9HAZ1 10/20 0.44
CYP2D6 P10635 9/20 0.44
MAPK1 P28482 8/20 0.44
CYP3A4 P08684 8/20 0.44
TSHR P16473 8/20 0.44
TP53 P04637 6/20 0.44
HIF1A Q16665 3/20 0.44
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43
ALDH1A1 P00352 7/20 0.42
USP2 O75604 3/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
HSD17B10 Q99714 6/20 0.42
LMNA P02545 4/20 0.42

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
SCHEMBL1850151 0.86 HSP90AA1 (0.59) HSP90AA1HSP90AB1CYP1A2CYP2C19CLK4
SCHEMBL11679914 0.77 MGAM (0.42) HSP90AA1HSP90AB1TP53ADORA3ADORA2A
SCHEMBL3942360 0.77 HSP90AA1 (0.76) HSP90AA1HSP90AB1ADORA3ADORA2AADORA2B
SCHEMBL15486382 0.76 CDK9 (0.49) HSP90AA1HSP90AB1CYP1A2CYP2C19CLK4
SCHEMBL8514899 0.76 CYP1A2 (0.48) HSP90AA1HSP90AB1CYP1A2CYP2C19CLK4
SCHEMBL30777916 0.76 CYP1A2 (0.48) HSP90AA1HSP90AB1CYP1A2CYP2C19CLK4
SCHEMBL27534760 0.75 CCNT1 (0.49) CYP1A2CYP2C19CLK4CYP2D6CYP3A4
SCHEMBL2988060 0.74 CLK4 (0.43) HSP90AA1HSP90AB1CYP1A2CYP2C19CLK4
SCHEMBL15533294 0.74 CYP1A2 (0.50) HSP90AA1HSP90AB1CYP1A2CYP2C19CLK4
SCHEMBL4431846 0.74 CYP1A2 (0.44) HSP90AA1HSP90AB1CYP1A2CYP2C19CLK4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137164-B1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-08-26 EP disclosed
EP-2137164-B1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-08-26 EP disclosed
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
US-8389521-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-03-05 US disclosed
US-8389521-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-03-05 US disclosed
US-8389521-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-03-05 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
EP-2137166-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP disclosed
EP-2137164-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP disclosed
WO-2008132138-A1 DERIVATIVES OF 4,6-DISUBSTITUTED AMINOPYRIMIDINES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-11-06 WO disclosed
US-20080275063-A1 C-{4-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-N-propyl-methanesulfonamide; antiinflammatories, antiproliferatives, analgesics; cardiovascular disorders, neurodegenerative diseases; immunotherapy ASTRAZENECA AB (SE) 2008-11-06 US disclosed
US-20080275063-A1 C-{4-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-N-propyl-methanesulfonamide; antiinflammatories, antiproliferatives, analgesics; cardiovascular disorders, neurodegenerative diseases; immunotherapy ASTRAZENECA AB (SE) 2008-11-06 US disclosed
US-20080275063-A1 C-{4-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-N-propyl-methanesulfonamide; antiinflammatories, antiproliferatives, analgesics; cardiovascular disorders, neurodegenerative diseases; immunotherapy ASTRAZENECA AB (SE) 2008-11-06 US disclosed
WO-2008129069-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 WO disclosed
WO-2008129069-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 WO disclosed
WO-2008129080-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 WO 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 (3 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 HSP90AA1 991/4885HSP90AB1 970/4885CYP1A2 3578/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 HSP90AA1 1005/4885HSP90AB1 965/4885CYP1A2 2965/4885
US-20080275063-A1 C-{4-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-N-propyl-methanesulfonamide; antiinflammatories, antiproliferatives, analgesics; cardiovascular disorders, neurodegenerative diseases; immunotherapy CDK5, CDK5R1, CDK4 HSP90AA1 970/4885HSP90AB1 1160/4885CYP1A2 4545/4885

“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.