SCHEMBL524274

SCHEMBL524274

C[C@@H](Nc1ncc2c(n1)N(C1CCCC1)CC(C)(C)C(=O)N2C)c1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.44
PLK1 P53350 15/20 0.44
BRD4 O60885 1/20 0.41
BRDT Q58F21 1/20 0.41
RPS6KA6 Q9UK32 1/20 0.39
TTK P33981 3/20 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
SCHEMBL20815330 1.00 IDH1 (0.44) IDH1PLK1BRD4BRDTRPS6KA6
SCHEMBL522332 1.00 IDH1 (0.44) IDH1PLK1BRD4BRDTRPS6KA6
SCHEMBL524145 0.91 PLK1 (0.45) IDH1PLK1BRD4BRDTTTK
SCHEMBL522743 0.91 PLK1 (0.45) IDH1PLK1BRD4BRDTTTK
SCHEMBL523370 0.89 PLK1 (0.41) IDH1PLK1BRD4BRDTTTK
SCHEMBL523369 0.89 PLK1 (0.41) IDH1PLK1BRD4BRDTTTK
SCHEMBL522605 0.87 IDH1 (0.45) IDH1PLK1BRD4BRDTTTK
SCHEMBL522384 0.87 IDH1 (0.45) IDH1PLK1BRD4BRDTTTK
SCHEMBL522613 0.86 PLK1 (0.43) IDH1PLK1BRD4BRDTTTK
SCHEMBL523542 0.86 PLK1 (0.43) IDH1PLK1BRD4BRDTTTK

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 7 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
EP-2480550-B1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2016-02-10 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

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 IDH1 1107/4885PLK1 86/4885BRD4 1038/4885
US-20120028966-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 IDH1 1107/4885PLK1 86/4885BRD4 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.