SCHEMBL1849641

SCHEMBL1849641

CCOc1ccccc1-c1cc(N)ncn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.49
ALDH1A1 P00352 5/20 0.47
CCNT1 O60563 6/20 0.45
CDK9 P50750 6/20 0.45
DHFR P00374 1/20 0.45
CYP1A2 P05177 4/20 0.43
CYP2C19 P33261 4/20 0.43
CLK4 Q9HAZ1 4/20 0.43
TP53 P04637 3/20 0.43
MAPK1 P28482 3/20 0.43
USP2 O75604 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 3/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
HIF1A Q16665 2/20 0.43
ALOX15 P16050 1/20 0.43
PDE3A Q14432 1/20 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
SCHEMBL30507282 0.84 CYP1A2 (0.58) ASIC3ALDH1A1CCNT1CDK9CYP1A2
SCHEMBL1849244 0.84 CYP1A2 (0.58) ASIC3ALDH1A1CCNT1CDK9CYP1A2
Hydrochloric Acid SCHEMBL2809031 0.83 CYP1A2 (0.57) ASIC3ALDH1A1CCNT1CDK9CYP1A2
SCHEMBL1848330 0.82 BRD4 (0.50) ASIC3ALDH1A1CCNT1CDK9CYP1A2
SCHEMBL1855246 0.81 ALDH1A1 (0.43) ALDH1A1CCNT1CDK9DHFRCYP1A2
SCHEMBL1854401 0.81 ALOX5AP (0.51) ASIC3ALDH1A1CCNT1CDK9CYP1A2
SCHEMBL2988060 0.81 CLK4 (0.43) ALDH1A1CCNT1CDK9CYP1A2CYP2C19
SCHEMBL1852743 0.80 FEN1 (0.44) ASIC3ALDH1A1CCNT1CDK9CYP1A2
SCHEMBL30507472 0.78 ASIC3 (0.51) ASIC3ALDH1A1DHFRCYP1A2CYP2C19
SCHEMBL28514333 0.78 ASIC3 (0.51) ASIC3ALDH1A1DHFRCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716296-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2014-05-06 US claimed
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
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 ASIC3 4447/4885ALDH1A1 4732/4885CCNT1 122/4885
US-20150038516-A1 Inhibitors of Protein Kinases CDK1, CDK2, CCNK ASIC3 4194/4885ALDH1A1 3147/4885CCNT1 17/4885

“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.