SCHEMBL8964193

SCHEMBL8964193

Nc1ncc(Br)cc1C(=O)c1cc(N2CCCNCC2)cs1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.42
CHRNA4 P43681 11/20 0.42
PRKCA P17252 2/20 0.42
PRKCQ Q04759 2/20 0.42
PRKCD Q05655 2/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CHRNA1 P02708 1/20 0.38
CHRNA7 P36544 1/20 0.38
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
PRKCI P41743 1/20 0.36
ATR Q13535 3/20 0.36

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
SCHEMBL8964191 0.83 PRKCQ (0.60) CHRNB2CHRNA4PRKCAPRKCQPRKCD
SCHEMBL8964127 0.82 HDAC2 (0.43) CHRNB2CHRNA4PRKCAPRKCQPRKCD
SCHEMBL8964125 0.82 PRKCA (0.42) CHRNB2CHRNA4PRKCAPRKCQPRKCD
SCHEMBL8964724 0.81 PRKCA (0.46) CHRNB2CHRNA4PRKCAPRKCQPRKCD
SCHEMBL8964246 0.79 HDAC3 (0.43) CHRNB2CHRNA4PRKCAPRKCQPRKCD
SCHEMBL8964883 0.76 PRKCA (0.53) CHRNB2CHRNA4PRKCAPRKCQPRKCD
SCHEMBL8968677 0.75 PRKCA (0.39) CHRNB2CHRNA4PRKCAPRKCQPRKCD
SCHEMBL1479328 0.75 PRKCQ (0.71) PRKCAPRKCQPRKCD
SCHEMBL8964982 0.72 PRKCA (0.49) CHRNB2CHRNA4PRKCAPRKCQPRKCD
SCHEMBL14436270 0.70 CCNC (0.47) ATR

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 CHRNB2 4583/4885CHRNA4 4655/4885PRKCA 25/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CHRNB2 4583/4885CHRNA4 4655/4885PRKCA 25/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CHRNB2 4583/4885CHRNA4 4655/4885PRKCA 25/4885

“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.