SCHEMBL3306416

SCHEMBL3306416

Fc1nc(NCc2cccnc2)c2ncn(CC3CC3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.64
▸ CDK9 P50750 3/20 0.64
▸ PPARG P37231 3/20 0.46
▸ PPARD Q03181 2/20 0.46
▸ CSNK1D P48730 1/20 0.45
▸ PDE5A O76074 1/20 0.45
▸ MERTK Q12866 1/20 0.44
▸ CSNK1E P49674 1/20 0.44
▸ CLK1 P49759 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ CCNK O75909 5/20 0.44
▸ CDK12 Q9NYV4 5/20 0.44
▸ CDK1 P06493 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ CTSL P07711 1/20 0.43

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
SCHEMBL17450113 0.81 CDK1 (0.56) CDK2CDK9PDE5ACDK7CDK1
SCHEMBL3302202 0.79 CDK2 (1.00) CDK2CDK9CDK7CDK1
SCHEMBL3299543 0.78 CDK2 (0.70) CDK2CDK9CDK7CDK1
SCHEMBL27801832 0.73 CDK2 (0.41) CDK2CDK9
SCHEMBL3306411 0.73 CDK2 (0.41) CDK2CDK9MERTK
SCHEMBL17450223 0.72 CDK1 (0.60) CDK2CSNK1DCLK2DYRK1ACLK4
SCHEMBL17450128 0.72 CDK1 (0.60) CDK2CDK1ADORA1CTSL
SCHEMBL21609990 0.71 ADORA3 (0.46) CDK2PPARGPPARDCCNKCDK12
Purine SCHEMBL17443010 0.71 CDK1 (0.43) CDK2CDK9PDE5ACDK7CCNK
SCHEMBL17628618 0.71 CDK1 (0.57) CDK2CDK9CCNKCDK12CDK1

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 9 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
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
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 — — US 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
WO-2008122767-A2 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES CYCLACEL LIMITED (GB) 2008-10-16 — — WO disclosed
WO-2008122767-A2 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES CYCLACEL LIMITED (GB) 2008-10-16 — — 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 (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 57/4885PPARG 1691/4885

“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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