SCHEMBL522613

SCHEMBL522613

CC(Nc1ncc2c(n1)N(C1CCCC1)CC(C)(C)C(=O)N2C)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 15/20 0.43
BRD4 O60885 1/20 0.40
BRDT Q58F21 1/20 0.40
TTK P33981 3/20 0.40
IDH1 O75874 3/20 0.38
MARK3 P27448 1/20 0.37
MARK4 Q96L34 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
SCHEMBL12694747 1.00 PLK1 (0.43) PLK1BRD4BRDTTTKIDH1
SCHEMBL527246 0.93 PLK1 (0.39) PLK1BRD4BRDTTTKIDH1
SCHEMBL522384 0.92 IDH1 (0.45) PLK1BRD4BRDTTTKIDH1
SCHEMBL522605 0.92 IDH1 (0.45) PLK1BRD4BRDTTTKIDH1
SCHEMBL523872 0.91 PLK1 (0.43) PLK1BRD4BRDTTTKIDH1
SCHEMBL523542 0.91 PLK1 (0.43) PLK1BRD4BRDTTTKIDH1
SCHEMBL523907 0.90 PLK1 (0.43) PLK1BRD4BRDTTTKIDH1
SCHEMBL12694685 0.90 PLK1 (0.43) PLK1BRD4BRDTTTKIDH1
SCHEMBL522743 0.90 PLK1 (0.45) PLK1BRD4BRDTTTKIDH1
SCHEMBL522608 0.90 PLK1 (0.43) PLK1BRD4BRDTTTKIDH1

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 11 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-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-2011036566-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 WO 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 86/4885BRD4 1038/4885BRDT 1181/4885
US-20120028966-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PLK1 86/4885BRD4 1038/4885BRDT 1181/4885

“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.