SCHEMBL4438481

SCHEMBL4438481

CCOc1cccc(-c2cc(Cl)ncn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.49
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
BRD4 O60885 1/20 0.46
BRD2 P25440 1/20 0.46
CREBBP Q92793 1/20 0.46
NOTUM Q6P988 1/20 0.46
KDM4E B2RXH2 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 5/20 0.44
TP53 P04637 4/20 0.44
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL5751837 0.84 CLK4 (0.54) MAP4K4MAPTTHRBTSHRTP53
SCHEMBL30307469 0.84 CLK4 (0.54) MAP4K4MAPTTHRBTSHRTP53
SCHEMBL4430103 0.81 BACE1 (0.52) TSHRTP53MAPK1HSD17B10CYP3A4
SCHEMBL3631400 0.77 FGFR1 (0.54) MAP4K4MAPTGAABRD4BRD2
SCHEMBL9260410 0.76 RXRA (0.66) MAP4K4MAPTGAABRD4BRD2
SCHEMBL29426410 0.76 RXRA (0.66) MAP4K4MAPTGAABRD4BRD2
SCHEMBL4901305 0.76 KMO (0.58) MAP4K4MAPTKDM4ETSHRMAPK1
SCHEMBL30459860 0.75 KMO (0.61) MAP4K4NOTUMCLK4
SCHEMBL2228047 0.75 KMO (0.61) MAP4K4NOTUMCLK4
SCHEMBL17775102 0.74 GRM5 (0.46) CYP1A2

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 19 patents. 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
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
EP-2137166-B1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2012-05-30 EP 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
US-20100184780-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2010-07-22 US disclosed
US-20100184780-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2010-07-22 US disclosed
EP-2137166-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP 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-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 (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-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK2, CDK6, CDK5 MAP4K4 50/4885MAPT 1989/4885GAA 2845/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 MAP4K4 49/4885MAPT 1489/4885GAA 2537/4885
US-20100184780-A1 INHIBITORS OF PROTEIN KINASES CDK5, CDK5R1, CDK1 MAP4K4 74/4885MAPT 215/4885GAA 2845/4885
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 MAP4K4 205/4885MAPT 67/4885GAA 3221/4885

“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.