SCHEMBL8964435

SCHEMBL8964435

Cc1ccsc1CN1CCCN(c2cccc(C(=O)c3cccnc3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
PRKCQ Q04759 2/20 0.43
FABP6 P51161 1/20 0.40
HSD11B1 P28845 1/20 0.39
HSD17B14 Q9BPX1 2/20 0.39
CASP1 P29466 1/20 0.37
CASP4 P49662 1/20 0.37
CASP5 P51878 1/20 0.37
PIM1 P11309 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35

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
SCHEMBL8964776 0.87 ALDH1A1 (0.46) KDM4EALDH1A1PRKCQHSD17B14CASP1
SCHEMBL8964532 0.83 PRKCQ (0.48) KDM4EALDH1A1PRKCQHSD11B1HSD17B14
SCHEMBL8970056 0.83 PRKCQ (0.67) KDM4EALDH1A1PRKCQPRKCAPRKCD
SCHEMBL8964942 0.82 MAPT (0.52) KDM4EALDH1A1HSD11B1CASP1CASP4
SCHEMBL8963499 0.81 SIGLEC9 (0.50) KDM4EALDH1A1PRKCQFABP6HSD17B14
SCHEMBL8964688 0.81 PRKCQ (0.46) KDM4EALDH1A1PRKCQHSD11B1HSD17B14
SCHEMBL8964208 0.80 PRKCQ (0.64) KDM4EALDH1A1PRKCQHSD17B14PIM1
SCHEMBL8964529 0.80 PRKCQ (0.44) KDM4EALDH1A1PRKCQHSD11B1HSD17B14
SCHEMBL8963598 0.79 PRKCQ (0.46) KDM4EALDH1A1PRKCQHSD11B1HSD17B14
SCHEMBL8970118 0.78 PRKCQ (0.49) KDM4EALDH1A1PRKCQLMNAPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 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 (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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KDM4E 990/4885ALDH1A1 4211/4885PRKCQ 38/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KDM4E 990/4885ALDH1A1 4211/4885PRKCQ 38/4885

“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.