SCHEMBL3304341

SCHEMBL3304341

NC(c1ccncc1)c1nc(F)nc2[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.30
RAF1 P04049 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL3854602 0.84 CFTR (0.33)
SCHEMBL4483788 0.78 MAPT (0.36)
SCHEMBL23762179 0.72 HPGD (0.35)
SCHEMBL3298664 0.69 CDK2 (0.44) MAPK13MAPK12MAPK11MAPK14
SCHEMBL3852231 0.69 CYP19A1 (0.35)
SCHEMBL18874066 0.67
SCHEMBL8850 0.67 GDA (0.33)
SCHEMBL11977311 0.67 GDA (0.33)
SCHEMBL3304345 0.67 KCNH3 (0.39)
SCHEMBL6564582 0.66 PRKD3 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592581-B2 Trisubstituted purine derivatives CYCLACEL LIMITED (GB) 2013-11-26 US disclosed
EP-2139893-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES CYCLACEL LTD (GB) 2013-06-19 EP disclosed
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 US disclosed
EP-2139893-A2 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES Cyclacel Limited (GB) 2010-01-06 EP disclosed
US-7612079-B2 2,6,9-substituted purine derivatives and their use in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-11-03 US disclosed
WO-2008122767-A2 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES CYCLACEL LIMITED (GB) 2008-10-16 WO disclosed
EP-1399446-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LTD (GB) 2005-08-03 EP disclosed
US-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-01-13 US disclosed
EP-1399446-A1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2004-03-24 EP disclosed
WO-2003002565-A1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE N THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2003-01-09 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-20100093769-A1 COMPOUNDS CCR9, NPY1R, BCL9 MAPK13 4076/4885RAF1 1539/4885MAPK9 589/4885
US-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders TYMP, PNP, IMPDH1 MAPK13 2347/4885RAF1 1787/4885MAPK9 227/4885

“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.