SCHEMBL523786

SCHEMBL523786

CCC1c2nncn2-c2cnc(N[C@@H](C)c3ccc(N4CCNCC4)cc3)nc2N1C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.54
RPS6KA6 Q9UK32 1/20 0.40
PLK1 P53350 8/20 0.39
PLK3 Q9H4B4 4/20 0.38
PLK2 Q9NYY3 4/20 0.38
IDH1 O75874 5/20 0.37
CDK4 P11802 5/20 0.37
CCND1 P24385 4/20 0.37
CCND2 P30279 2/20 0.37
CCND3 P30281 2/20 0.37
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL20815329 1.00 BRD4 (0.54) BRD4RPS6KA6PLK1PLK3PLK2
SCHEMBL523785 1.00 BRD4 (0.54) BRD4RPS6KA6PLK1PLK3PLK2
SCHEMBL523440 1.00 BRD4 (0.54) BRD4RPS6KA6PLK1PLK3PLK2
SCHEMBL525554 0.93 BRD4 (0.52) BRD4RPS6KA6PLK1PLK3PLK2
SCHEMBL524047 0.92 BRD4 (0.55) BRD4RPS6KA6PLK1PLK3PLK2
SCHEMBL20815288 0.92 BRD4 (0.55) BRD4RPS6KA6PLK1PLK3PLK2
SCHEMBL522804 0.92 BRD4 (0.55) BRD4RPS6KA6PLK1PLK3PLK2
SCHEMBL524048 0.92 BRD4 (0.55) BRD4RPS6KA6PLK1PLK3PLK2
SCHEMBL12837784 0.87 BRD4 (0.60) BRD4PLK1PLK3PLK2
SCHEMBL20815326 0.86 BRD4 (0.59) BRD4PLK1PLK3PLK2

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
EP-2356122-B1 PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2019-03-20 EP claimed
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

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 BRD4 1038/4885RPS6KA6 105/4885PLK1 86/4885
US-20120028966-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 BRD4 1038/4885RPS6KA6 105/4885PLK1 86/4885

“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.