SCHEMBL4581033

SCHEMBL4581033

COc1cccc2c1ccn2-c1ccc(C#N)c(NC2CCC(O)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
MAPK8 P45983 4/20 0.41
MAPK9 P45984 2/20 0.41
MAPK10 P53779 2/20 0.41
PRKCQ Q04759 5/20 0.39
PRKCD Q05655 4/20 0.39
FFAR4 Q5NUL3 1/20 0.36
PDE5A O76074 3/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
MAPK7 Q13164 2/20 0.35
BRD4 O60885 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PDGFRB P09619 2/20 0.34
EGFR P00533 1/20 0.34
INSR P06213 1/20 0.34
LCK P06239 1/20 0.34
PDGFRA P16234 1/20 0.34
GRM1 Q13255 1/20 0.34

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
SCHEMBL14197322 1.00 HSP90AA1 (0.43) HSP90AA1MAPK8MAPK9MAPK10PRKCQ
SCHEMBL14177840 0.82 HSP90AA1 (0.62) HSP90AA1HSP90B1
SCHEMBL4581642 0.82 HSP90AA1 (0.62) HSP90AA1HSP90B1
SCHEMBL14177839 0.81 KDM4E (0.40) HSP90AA1PRKCQPRKCDGSK3B
SCHEMBL4580769 0.81 KDM4E (0.40) HSP90AA1PRKCQPRKCDGSK3B
SCHEMBL30853528 0.80 PIP4K2A (0.42) PRKCQPRKCDEGFRMAPK1CDK7
SCHEMBL951938 0.76 HSP90AA1 (0.74) HSP90AA1
SCHEMBL1078057 0.76 HSP90AA1 (0.47) HSP90AA1MAPK8MAPK9MAPK10PRKCQ
SCHEMBL4580694 0.73 MAPT (0.44) HSP90AA1PRKCQPRKCDMAPK7BRD4
SCHEMBL2181668 0.72 PRKCQ (0.37) HSP90AA1PRKCQPRKCDHSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US 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 (1 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 HSP90AA1 2260/4885MAPK8 2821/4885MAPK9 2970/4885

“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.