SCHEMBL384436

SCHEMBL384436

CCC1c2nncn2-c2cnc(NCc3ccccc3)nc2N1C1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.69
PLK1 P53350 16/20 0.44
PLK2 Q9NYY3 11/20 0.44
PLK3 Q9H4B4 10/20 0.44
CDK1 P06493 2/20 0.39

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
SCHEMBL384435 1.00 BRD4 (0.69) BRD4PLK1PLK2PLK3CDK1
SCHEMBL382638 0.89 BRD4 (0.68) BRD4PLK1PLK2PLK3
SCHEMBL382639 0.89 BRD4 (0.68) BRD4PLK1PLK2PLK3
SCHEMBL383343 0.88 BRD4 (0.75) BRD4PLK1PLK2PLK3
SCHEMBL383344 0.88 BRD4 (0.75) BRD4PLK1PLK2PLK3
SCHEMBL1288315 0.85 BRD4 (0.68) BRD4PLK1PLK2PLK3
SCHEMBL384394 0.85 BRD4 (0.68) BRD4PLK1PLK2PLK3
SCHEMBL384393 0.85 BRD4 (0.68) BRD4PLK1PLK2PLK3
SCHEMBL1288316 0.85 BRD4 (0.68) BRD4PLK1PLK2PLK3
SCHEMBL523203 0.85 BRD4 (0.66) BRD4PLK1PLK2PLK3

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-8524902-B2 [1,2,4]triazolo[4,3-f]pteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20120277425-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-01 US disclosed
EP-2010542-B1 4,5-DIHYDRO-[1,2,4]TRIAZOLO[4,3-F]PTERIDINES AS PLK1 PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2012-01-25 EP disclosed
US-8067417-B2 Imidazo[1,2-F]pteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-29 US disclosed
US-20110021519-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 US disclosed
US-7763629-B2 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-27 US disclosed
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-03-05 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 (3 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-20120277425-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKCH, DMPK, MAP3K20 BRD4 1254/4885PLK1 159/4885PLK2 260/4885
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases PRKCH, DMPK, MAP3K20 BRD4 1254/4885PLK1 159/4885PLK2 260/4885
US-20110021519-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKCH, DMPK, MAP3K20 BRD4 1254/4885PLK1 159/4885PLK2 260/4885

“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.