SCHEMBL1479335

SCHEMBL1479335

Nc1ncccc1C(=O)c1cn(Cc2ccccc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.48
RBP4 P02753 1/20 0.46
KDM5A P29375 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
KLKB1 P03952 1/20 0.46
PRKCI P41743 1/20 0.44
RIPK1 Q13546 1/20 0.43
PRKCQ Q04759 10/20 0.43
CPB2 Q96IY4 1/20 0.43
PRKCA P17252 1/20 0.42
PRKCD Q05655 1/20 0.42
USP30 Q70CQ3 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
SCHEMBL8963982 0.91 PRKCI (0.45) NAPRTRBP4KDM5AKDM4CKDM5B
SCHEMBL1479212 0.85 NAPRT (0.48) NAPRTRBP4KDM5AKDM4CKDM5B
SCHEMBL15964744 0.78 RBP4 (0.54) RBP4KDM5AKDM4CKDM5BCYP2E1
SCHEMBL3688462 0.77 KDM4C (0.57) RBP4KDM5AKDM4CKDM5BCYP2E1
SCHEMBL2008192 0.77 KLKB1 (0.48) RBP4KDM5AKDM4CKDM5BCYP2E1
SCHEMBL16690901 0.75 RBP4 (0.54) RBP4KDM5AKDM4CKDM5BCYP2E1
SCHEMBL16211860 0.73 NAPRT (0.59) NAPRTPRKCIPRKCQPRKCAPRKCD
SCHEMBL24310642 0.72 KDM4C (0.52) RBP4KDM5AKDM4CKDM5BCYP2E1
SCHEMBL8964037 0.72 KDR (0.39) RBP4KDM5AKDM4CKDM5BCYP2E1
SCHEMBL8198020 0.72 NAPRT (0.73) NAPRTCYP3A4PRKCIPRKCQPRKCA

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 19 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-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-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-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-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
US-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
EP-2121613-A2 2-AMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals, Inc. (US) 2009-11-25 EP 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
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
WO-2008094992-A2 2-AMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-07 WO 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 (4 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 NAPRT 1808/4885RBP4 4820/4885KDM5A 1214/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 NAPRT 1808/4885RBP4 4820/4885KDM5A 1214/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 NAPRT 1808/4885RBP4 4820/4885KDM5A 1214/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 NAPRT 1808/4885RBP4 4820/4885KDM5A 1214/4885

“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.