SCHEMBL1848427

SCHEMBL1848427

COc1ccccc1-c1cc(NC(=O)N(C)CC(=O)O)ncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.56
CYP2D6 P10635 6/20 0.56
CYP2C19 P33261 6/20 0.56
CLK4 Q9HAZ1 6/20 0.56
TSHR P16473 5/20 0.56
MAPK1 P28482 5/20 0.56
HSD17B10 Q99714 4/20 0.56
ALDH1A1 P00352 3/20 0.56
TP53 P04637 2/20 0.56
CYP2C9 P11712 2/20 0.56
HIF1A Q16665 2/20 0.56
CDK9 P50750 14/20 0.53
CYP3A4 P08684 4/20 0.53
LMNA P02545 3/20 0.53
CCNT1 O60563 10/20 0.51
USP2 O75604 2/20 0.50
ALOX15 P16050 2/20 0.50
MAP4K4 O95819 2/20 0.49
CDK1 P06493 2/20 0.49
CDK4 P11802 2/20 0.49

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
SCHEMBL16437079 0.91 CDK9 (0.53) CYP1A2CYP2D6CYP2C19CLK4TSHR
SCHEMBL1851193 0.88 CDK9 (0.52) CYP1A2CYP2D6CYP2C19CLK4TSHR
SCHEMBL1848114 0.80 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19CLK4TSHR
SCHEMBL16437074 0.80 ADORA3 (0.68) CYP1A2CYP2D6CYP2C19CLK4TSHR
SCHEMBL1846926 0.79 CDK9 (0.74) CYP1A2CYP2D6CYP2C19CLK4TSHR
SCHEMBL1848129 0.79 CDK9 (0.67) CYP1A2CYP2D6CYP2C19CLK4TSHR
SCHEMBL13133522 0.78 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19CLK4TSHR
SCHEMBL1847757 0.77 CDK9 (0.52) CYP1A2CYP2D6CYP2C19CLK4TSHR
SCHEMBL1849518 0.77 CDK9 (0.57) CYP1A2CYP2D6CYP2C19CLK4TSHR
SCHEMBL1848695 0.77 CDK9 (0.60) CYP1A2CYP2D6CYP2C19CLK4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212297-B1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-05-25 EP claimed
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
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 CYP1A2 4600/4885CYP2D6 4417/4885CYP2C19 3293/4885
US-20150038516-A1 Inhibitors of Protein Kinases CDK1, CDK2, CCNK CYP1A2 2664/4885CYP2D6 3843/4885CYP2C19 3367/4885

“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.