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Sugi Predict / Compounds / SCHEMBL8964982

SCHEMBL8964982

SCHEMBL8964982

Nc1ncc(Br)cc1C(=O)c1cc(C(F)(F)F)cc(N2CCCNCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 2/20 0.49
▸ PRKCQ Q04759 2/20 0.49
▸ PRKCD Q05655 2/20 0.49
▸ ADRB1 P08588 1/20 0.39
▸ HRH4 Q9H3N8 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ IRAK4 Q9NWZ3 8/20 0.37
▸ PRKD1 Q15139 1/20 0.37
▸ PRKD2 Q9BZL6 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ IKBKE Q14164 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ IKBKB O14920 1/20 0.34

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
SCHEMBL8970382 0.90 PLA2G1B (0.36) PRKCAPRKCQPRKCD
SCHEMBL9008503 0.86 PRKCQ (0.47) PRKCAPRKCQPRKCDADRB1HRH4
SCHEMBL8964883 0.84 PRKCA (0.53) PRKCAPRKCQPRKCDHRH4IRAK4
SCHEMBL1479328 0.83 PRKCQ (0.71) PRKCAPRKCQPRKCD
SCHEMBL9013242 0.80 PRKCQ (0.68) PRKCAPRKCQPRKCDIRAK4
SCHEMBL8965294 0.78 PRKCQ (0.69) PRKCAPRKCQPRKCDIRAK4IKBKE
SCHEMBL8964724 0.77 PRKCA (0.46) PRKCAPRKCQPRKCDHRH4IRAK4
SCHEMBL8970370 0.76 CASP1 (0.37) PRKCAPRKCQPRKCD
SCHEMBL8966517 0.76 PRKCQ (0.49) PRKCAPRKCQPRKCDADRB1HRH4
SCHEMBL13857168 0.76 PRKCA (0.39) PRKCAPRKCQPRKCDADRB1HRH4

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.