SCHEMBL8970132

SCHEMBL8970132

Cc1ccccc1-c1cnc(N)c(C(=O)c2cccc(N3CCCNCC3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 15/20 0.64
PRKCA P17252 3/20 0.64
PRKCD Q05655 3/20 0.64
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
CYP1A2 P05177 1/20 0.41
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL13857119 0.91 PRKCQ (0.55) PRKCQPRKCAPRKCDPIM1PIM3
SCHEMBL9007436 0.88 PRKCQ (0.69) PRKCQPRKCAPRKCDPIM2IKBKE
SCHEMBL9013062 0.88 PRKCQ (0.66) PRKCQPRKCAPRKCDPIM1PIM3
SCHEMBL9011520 0.87 PRKCQ (0.65) PRKCQPRKCAPRKCDPIM1PIM3
SCHEMBL8185355 0.86 PRKCQ (0.71) PRKCQPRKCAPRKCDPIM1PIM3
SCHEMBL9011014 0.85 PRKCQ (0.68) PRKCQPRKCAPRKCDPIM1PIM3
SCHEMBL9015296 0.85 PRKCQ (0.51) PRKCQPRKCAPRKCD
SCHEMBL8965476 0.85 PRKCQ (0.58) PRKCQPRKCAPRKCDPIM1PIM3
SCHEMBL8965159 0.85 PRKCQ (0.60) PRKCQPRKCAPRKCDPIM1PIM3
SCHEMBL9008522 0.85 PRKCQ (0.67) PRKCQPRKCAPRKCDPIM1PIM3

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 7 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
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 (3 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-20120214799-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.