SCHEMBL8964883

SCHEMBL8964883

Nc1ncc(Br)cc1C(=O)c1cncc(N2CCCNCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.53
PRKCQ Q04759 2/20 0.53
PRKCD Q05655 2/20 0.53
CHRNB2 P17787 6/20 0.42
CHRNA4 P43681 6/20 0.42
PIM2 Q9P1W9 3/20 0.41
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL1479328 0.87 PRKCQ (0.71) PRKCAPRKCQPRKCDPIM2PIM1
SCHEMBL9011731 0.85 PRKCQ (0.51) PRKCAPRKCQPRKCDCHRNB2CHRNA4
SCHEMBL9013278 0.84 PRKCQ (0.53) PRKCAPRKCQPRKCDPIM2HRH4
SCHEMBL8964982 0.84 PRKCA (0.49) PRKCAPRKCQPRKCDCHRNB2CHRNA4
SCHEMBL8964915 0.82 PRKCQ (0.77) PRKCAPRKCQPRKCD
SCHEMBL8965294 0.82 PRKCQ (0.69) PRKCAPRKCQPRKCDIKBKETBK1
SCHEMBL8964724 0.81 PRKCA (0.46) PRKCAPRKCQPRKCDCHRNB2CHRNA4
SCHEMBL8965504 0.78 PIM2 (0.49) PRKCAPRKCQPRKCDPIM2IKBKE
SCHEMBL8964246 0.77 HDAC3 (0.43) PRKCAPRKCQPRKCDCHRNB2CHRNA4
SCHEMBL8964127 0.76 HDAC2 (0.43) PRKCAPRKCQPRKCDCHRNB2CHRNA4

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 10 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-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-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-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 PRKCA 25/4885PRKCQ 38/4885PRKCD 120/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCA 25/4885PRKCQ 38/4885PRKCD 120/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCA 25/4885PRKCQ 38/4885PRKCD 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.