SCHEMBL1854401

SCHEMBL1854401

CC(C)Oc1ccccc1-c1cc(N)ncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.51
FEN1 P39748 2/20 0.51
ASIC3 Q9UHC3 1/20 0.49
CHRNA7 P36544 1/20 0.46
CCNT1 O60563 4/20 0.44
CDK9 P50750 4/20 0.44
EGFR P00533 1/20 0.44
ALDH1A1 P00352 5/20 0.43
CYP1A2 P05177 5/20 0.43
CYP2C19 P33261 5/20 0.43
CLK4 Q9HAZ1 5/20 0.43
TP53 P04637 3/20 0.43
MAPK1 P28482 3/20 0.43
CYP3A4 P08684 3/20 0.43
USP2 O75604 2/20 0.43
CYP2D6 P10635 4/20 0.43
HSD17B10 Q99714 4/20 0.43
LMNA P02545 3/20 0.43
ALOX15 P16050 1/20 0.43
TLR8 Q9NR97 1/20 0.42

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) ASIC3CHRNA7CCNT1CDK9ALDH1A1
SCHEMBL1849244 0.84 CYP1A2 (0.58) ASIC3CHRNA7CCNT1CDK9ALDH1A1
SCHEMBL4428792 0.83 EGFR (0.44) ALOX5APFEN1CHRNA7CCNT1CDK9
Hydrochloric Acid SCHEMBL2809031 0.83 CYP1A2 (0.57) ASIC3CHRNA7CCNT1CDK9ALDH1A1
SCHEMBL4103611 0.82 CYP1A2 (0.60) CCNT1CDK9ALDH1A1CYP1A2CYP2C19
SCHEMBL1849641 0.81 ASIC3 (0.49) ASIC3CCNT1CDK9EGFRALDH1A1
SCHEMBL15487410 0.78 MAPK1 (0.42) ALOX5APFEN1CHRNA7CCNT1CDK9
SCHEMBL15490014 0.77 USP2 (0.60) CCNT1CDK9ALDH1A1CYP1A2CYP2C19
SCHEMBL1848330 0.76 BRD4 (0.50) ASIC3CCNT1CDK9ALDH1A1CYP1A2
SCHEMBL2808407 0.76 CDK9 (0.58) CCNT1CDK9ALDH1A1CYP1A2CYP2C19

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 7 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-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
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

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 ALOX5AP 4436/4885FEN1 1357/4885ASIC3 4447/4885
US-20150038516-A1 Inhibitors of Protein Kinases CDK1, CDK2, CCNK ALOX5AP 3389/4885FEN1 2870/4885ASIC3 4194/4885

“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.