SCHEMBL8969522

SCHEMBL8969522

COC(=O)N1CCCN(c2cccc(C(=O)c3cccnc3N)n2)CC1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 18/20 0.73
PRKCA P17252 3/20 0.64
PRKCD Q05655 3/20 0.64
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 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
SCHEMBL8969622 0.90 PRKCQ (0.71) PRKCQPRKCAPRKCD
SCHEMBL8969675 0.90 PRKCQ (0.69) PRKCQPRKCAPRKCD
SCHEMBL8969800 0.89 PRKCQ (0.66) PRKCQPRKCAPRKCD
SCHEMBL8969647 0.89 PRKCQ (0.77) PRKCQPRKCAPRKCD
SCHEMBL15933365 0.89 PRKCQ (0.68) PRKCQPRKCAPRKCD
SCHEMBL8969766 0.88 PRKCQ (0.69) PRKCQPRKCAPRKCDHSD17B10HPGD
SCHEMBL8970002 0.88 PRKCQ (0.67) PRKCQPRKCAPRKCDCYP2D6TSHR
SCHEMBL8969603 0.87 PRKCQ (0.66) PRKCQPRKCAPRKCD
SCHEMBL8969646 0.87 PRKCQ (0.66) PRKCQPRKCAPRKCD
SCHEMBL8969979 0.86 PRKCQ (0.73) PRKCQPRKCAPRKCD

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 6 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-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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 PRKCQ 38/4885PRKCA 25/4885PRKCD 120/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PRKCA 25/4885PRKCD 120/4885

“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.