SCHEMBL1853448

SCHEMBL1853448

COc1ccc(F)cc1-c1cc(NC(=O)[C@H](C)c2ccccc2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 13/20 0.58
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C19 P33261 3/20 0.50
HSD17B10 Q99714 3/20 0.50
CLK4 Q9HAZ1 3/20 0.50
LMNA P02545 2/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
POLB P06746 1/20 0.46
TP53 P04637 2/20 0.45
CYP2C9 P11712 2/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
HIF1A Q16665 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CCNT1 O60563 5/20 0.44
HDAC3 O15379 2/20 0.43

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
SCHEMBL12661743 1.00 CDK9 (0.58) CDK9ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1849202 1.00 CDK9 (0.58) CDK9ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1849368 0.91 CDK9 (0.55) CDK9ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1848528 0.91 CDK9 (0.55) CDK9ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL13883539 0.91 CDK9 (0.55) CDK9ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL2401117 0.84 POLB (0.51) CDK9POLBMEN1KMT2ACCNT1
SCHEMBL12294012 0.84 POLB (0.51) CDK9POLBMEN1KMT2ACCNT1
SCHEMBL1850122 0.83 CDK9 (0.52) CDK9ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL27800929 0.82 FAAH (0.48) CYP1A2CYP2D6CLK4USP2POLB
SCHEMBL27821799 0.82 FAAH (0.48) CYP1A2CYP2D6CLK4USP2POLB

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 1/4885ALDH1A1 4732/4885CYP1A2 4600/4885
US-20150038516-A1 Inhibitors of Protein Kinases CDK1, CDK2, CCNK CDK9 22/4885ALDH1A1 3147/4885CYP1A2 2664/4885

“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.