SCHEMBL13857129

SCHEMBL13857129

C=Cc1cnc(C)c(C(=O)c2cccc(N3CCCN(C)CC3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.59
HSD17B14 Q9BPX1 2/20 0.47
PIM2 Q9P1W9 4/20 0.46
PIM1 P11309 2/20 0.46
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PRKCA P17252 2/20 0.41
PRKCD Q05655 2/20 0.41
HTR3E A5X5Y0 3/20 0.40
HTR3B O95264 3/20 0.40
HTR3A P46098 3/20 0.40
HTR3D Q70Z44 3/20 0.40
HTR3C Q8WXA8 3/20 0.40
HSD11B1 P28845 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL8970152 0.89 PRKCQ (0.69) PRKCQHSD17B14PIM2PIM1CSNK2A2
SCHEMBL13857203 0.88 PRKCQ (0.45) PRKCQHSD17B14PRKCAPRKCDHSD11B1
SCHEMBL13857210 0.87 PRKCQ (0.57) PRKCQHSD17B14PIM2PIM1PRKCA
SCHEMBL13857180 0.86 PRKCQ (0.61) PRKCQHSD17B14PIM2PIM1CSNK2A2
SCHEMBL13857202 0.84 PRKCQ (0.42) PRKCQHSD17B14PRKCAPRKCDHSD11B1
SCHEMBL13857199 0.84 CKS1B (0.51) PRKCQ
SCHEMBL8964879 0.82 HSD17B14 (0.53) PRKCQHSD17B14PIM2PIM1CSNK2A2
SCHEMBL13857241 0.81 PRKCQ (0.78) PRKCQHSD17B14PIM2PIM1PRKCA
SCHEMBL8970017 0.80 PRKCQ (0.55) PRKCQHSD17B14PRKCAPRKCDHSD11B1
SCHEMBL8970227 0.77 PRKCQ (0.53) PRKCQPRKCAPRKCDHRH3

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 3 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-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

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 38/4885HSD17B14 2544/4885PIM2 415/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885HSD17B14 2544/4885PIM2 415/4885

“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.