SCHEMBL4301915

SCHEMBL4301915

CC1CN(CCc2ccc3c(c2)COC3=C2C(=O)Nc3ccc(F)cc32)CC(C)O1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 18/20 0.43
KCNH2 Q12809 8/20 0.43
TOP1 P11387 2/20 0.36

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
SCHEMBL4301912 1.00 KCNJ1 (0.43) KCNJ1KCNH2TOP1
SCHEMBL4303617 0.88 KCNJ1 (0.45) KCNJ1KCNH2
SCHEMBL4303611 0.88 KCNJ1 (0.45) KCNJ1KCNH2
SCHEMBL6087093 0.86 PDGFRB (0.40) TOP1
SCHEMBL6087089 0.86 PDGFRB (0.40) TOP1
SCHEMBL4306725 0.85 KCNJ1 (0.51) KCNJ1KCNH2
SCHEMBL4306722 0.85 KCNJ1 (0.51) KCNJ1KCNH2
SCHEMBL13185826 0.85 KCNJ1 (0.47) KCNJ1KCNH2
SCHEMBL4300899 0.85 KCNJ1 (0.50) KCNJ1KCNH2
SCHEMBL4305098 0.85 KCNJ1 (0.50) KCNJ1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 US disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 US disclosed
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 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 (4 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-20130267497-A1 KINASE INHIBITORS PTK2, MAP3K6, MAP3K20 KCNJ1 4366/4885KCNH2 3956/4885TOP1 3023/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KCNJ1 4366/4885KCNH2 3956/4885TOP1 3023/4885
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 KCNJ1 3104/4885KCNH2 1780/4885TOP1 1819/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KCNJ1 4366/4885KCNH2 3956/4885TOP1 3023/4885

“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.