SCHEMBL1848396

SCHEMBL1848396

COc1ccc(CC(=O)Nc2cc(-c3ccccc3OC)ncn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 8/20 0.64
CYP1A2 P05177 4/20 0.56
CYP2D6 P10635 4/20 0.56
TSHR P16473 4/20 0.56
MAPK1 P28482 4/20 0.56
CYP2C19 P33261 4/20 0.56
CLK4 Q9HAZ1 4/20 0.56
HSD17B10 Q99714 3/20 0.56
CYP3A4 P08684 3/20 0.56
USP2 O75604 1/20 0.56
ALOX15 P16050 1/20 0.56
ALDH1A1 P00352 4/20 0.56
TP53 P04637 2/20 0.56
CYP2C9 P11712 2/20 0.56
HIF1A Q16665 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK10 P53779 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 2/20 0.53
RIOK2 Q9BVS4 1/20 0.53

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
SCHEMBL1848129 0.92 CDK9 (0.67) CDK9CYP1A2CYP2D6TSHRMAPK1
SCHEMBL1848095 0.89 CDK9 (0.60) CDK9CYP1A2CYP2D6TSHRMAPK1
SCHEMBL1847843 0.89 CDK9 (0.64) CDK9CYP1A2CYP2D6TSHRMAPK1
SCHEMBL1849629 0.89 CDK9 (0.79) CDK9CYP1A2CYP2D6TSHRMAPK1
SCHEMBL1850531 0.87 CYP1A2 (0.62) CDK9CYP1A2CYP2D6TSHRMAPK1
SCHEMBL1852048 0.85 TSHR (0.69) CDK9CYP1A2CYP2D6TSHRMAPK1
SCHEMBL1853990 0.85 CDK9 (0.64) CDK9CYP1A2CYP2D6TSHRMAPK1
SCHEMBL1849614 0.84 CDK9 (0.82) CDK9CYP1A2CYP2D6TSHRMAPK1
SCHEMBL1847419 0.83 CDK9 (0.55) CDK9CYP1A2CYP2D6TSHRMAPK1
SCHEMBL13133522 0.83 CYP1A2 (0.58) CDK9CYP1A2CYP2D6TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038516-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2015-02-05 US disclosed
US-20150038516-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2015-02-05 US disclosed
US-20150038516-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2015-02-05 US disclosed
US-8716296-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2014-05-06 US disclosed
US-8716296-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2014-05-06 US disclosed
US-8716296-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2014-05-06 US disclosed
EP-2212297-B1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-05-25 EP disclosed
US-20100249149-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100249149-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100249149-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2010-09-30 US disclosed
EP-2212297-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2010-08-04 EP disclosed
WO-2009047359-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2009-04-16 WO disclosed
WO-2009047359-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2009-04-16 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 (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-20100249149-A1 Inhibitors of Protein Kinases CDK9, CDK19, CDK2 CDK9 1/4885CYP1A2 4600/4885CYP2D6 4417/4885
US-20150038516-A1 Inhibitors of Protein Kinases CDK1, CDK2, CCNK CDK9 22/4885CYP1A2 2664/4885CYP2D6 3843/4885

“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.