SCHEMBL3305157

SCHEMBL3305157

CC(C)n1cnc2c(N(C)c3cccnc3)nc(NCC(O)(C(F)(F)F)C(F)(F)F)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 18/20 0.49
▸ CDK9 P50750 8/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CDK7 P50613 12/20 0.44
▸ CDK1 P06493 11/20 0.44
▸ CDK4 P11802 11/20 0.44
▸ MAPK1 P28482 11/20 0.44
▸ CCNE1 P24864 11/20 0.44
▸ CCNH P51946 11/20 0.44
▸ CCNB1 P14635 9/20 0.44
▸ CCND1 P24385 9/20 0.44
▸ CCNT1 O60563 5/20 0.44
▸ CDK5 Q00535 5/20 0.42
▸ MNAT1 P51948 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ CDK5R1 Q15078 4/20 0.42
▸ CCNA2 P20248 3/20 0.42
▸ CCNA1 P78396 3/20 0.42
▸ DYRK1A Q13627 3/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL15016274 0.86 CDK2 (0.66) CDK2CDK9NPSR1CDK7CDK1
SCHEMBL3305160 0.80 CDK2 (0.75) CDK2CDK9CDK7CDK1CDK4
SCHEMBL27553389 0.78 MAPK1 (0.47) CDK2CDK9NPSR1CDK7CDK1
SCHEMBL27573678 0.76 CDK2 (0.58) CDK2CDK9NPSR1CDK7CDK1
SCHEMBL19112102 0.73 CDK1 (0.63) CDK2NPSR1CDK1MAPK1CCNE1
SCHEMBL23961642 0.72 TDP1 (0.55) CDK2NPSR1CDK7CDK1CDK4
SCHEMBL22651961 0.70 NPSR1 (0.70) CDK2CDK9NPSR1CDK7CDK1
SCHEMBL3298930 0.68 CDK2 (0.66) CDK2CDK9NPSR1CDK7CDK1
SCHEMBL19112178 0.67 NPSR1 (0.67) CDK2CDK9NPSR1CDK7CDK1
SCHEMBL19112192 0.67 NPSR1 (0.67) CDK2CDK9NPSR1CDK7CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 — — US claimed
EP-2139893-A2 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES Cyclacel Limited (GB) 2010-01-06 — — EP claimed
WO-2008122767-A2 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES CYCLACEL LIMITED (GB) 2008-10-16 — — WO claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CDK2 1751/4885CDK9 57/4885NPSR1 822/4885

“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.

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