SCHEMBL523126

SCHEMBL523126

CC(Nc1ncc2c(n1)N(C1CCCC1)CC(C)(C)C(=O)N2C)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.43
IDH1 O75874 7/20 0.40
BRD4 O60885 1/20 0.40
BRDT Q58F21 1/20 0.40
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK14 Q16539 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
SCHEMBL20815331 1.00 PLK1 (0.43) PLK1IDH1BRD4BRDTMAPK8
SCHEMBL523461 1.00 PLK1 (0.43) PLK1IDH1BRD4BRDTMAPK8
SCHEMBL522682 0.89 IDH1 (0.42) PLK1IDH1BRD4BRDT
SCHEMBL522943 0.89 IDH1 (0.42) PLK1IDH1BRD4BRDT
SCHEMBL523913 0.89 PLK1 (0.46) PLK1IDH1BRD4BRDT
SCHEMBL523096 0.89 PLK1 (0.43) PLK1IDH1BRD4BRDT
SCHEMBL524087 0.89 PLK1 (0.46) PLK1IDH1BRD4BRDT
SCHEMBL12694797 0.89 PLK1 (0.43) PLK1IDH1BRD4BRDT
SCHEMBL522605 0.88 IDH1 (0.45) PLK1IDH1BRD4BRDT
SCHEMBL522384 0.88 IDH1 (0.45) PLK1IDH1BRD4BRDT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322793-A1 PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-20 US claimed
US-8278297-B2 Protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-02 US claimed
US-20120028966-A1 PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US claimed
EP-2356122-A1 PROTEIN KINASE INHIBITORS Vertex Pharmceuticals Incorporated (US) 2011-08-17 EP claimed
WO-2010008454-A1 PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-21 WO claimed
EP-2356122-B1 PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2019-03-20 EP disclosed
US-8618106-B2 Protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-31 US disclosed
US-20120322793-A1 PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-20 US disclosed
US-8278297-B2 Protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-02 US disclosed
US-20120028966-A1 PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US disclosed
EP-2356122-A1 PROTEIN KINASE INHIBITORS Vertex Pharmceuticals Incorporated (US) 2011-08-17 EP disclosed
WO-2010008454-A1 PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-21 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 (2 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-20120322793-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PLK1 86/4885IDH1 1107/4885BRD4 1038/4885
US-20120028966-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PLK1 86/4885IDH1 1107/4885BRD4 1038/4885

“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.