SCHEMBL8963982

SCHEMBL8963982

Nc1ncccc1C(=O)c1cn(Cc2ccncc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.45
NAPRT Q6XQN6 1/20 0.43
PRKCQ Q04759 11/20 0.42
PRKCA P17252 2/20 0.41
PRKCD Q05655 2/20 0.41
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
KLKB1 P03952 2/20 0.39
RBP4 P02753 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
CYP11B1 P15538 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
SCHEMBL1479335 0.91 NAPRT (0.48) PRKCINAPRTPRKCQPRKCAPRKCD
SCHEMBL8964037 0.81 KDR (0.39) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL7078593 0.77 KDM4C (0.48) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL1479212 0.76 NAPRT (0.48) NAPRTCYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL23458501 0.72 PRKCI (0.59) PRKCINAPRTPRKCQPRKCAPRKCD
SCHEMBL8198020 0.71 NAPRT (0.73) PRKCINAPRTPRKCQPRKCAPRKCD
SCHEMBL16211860 0.69 NAPRT (0.59) PRKCINAPRTPRKCQPRKCAPRKCD
SCHEMBL2008192 0.68 KLKB1 (0.48) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL15964744 0.68 RBP4 (0.54) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL3688462 0.68 KDM4C (0.57) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9

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 PRKCI 30/4885NAPRT 1808/4885PRKCQ 38/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCI 30/4885NAPRT 1808/4885PRKCQ 38/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCI 30/4885NAPRT 1808/4885PRKCQ 38/4885

“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.