SCHEMBL3302940

SCHEMBL3302940

Cc1cccnc1CNc1nc(F)nc2[nH]cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.43
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
JAK3 P52333 1/20 0.39
DYRK1B Q9Y463 2/20 0.38
ADORA2A P29274 10/20 0.37
ADORA1 P30542 8/20 0.37
DYRK3 O43781 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK4 Q9NR20 1/20 0.36
BRD4 O60885 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35
PIK3CD O00329 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL17450144 0.82 AURKA (0.41) JAK3ADORA2AADORA1BRD4ALDH1A1
SCHEMBL4483792 0.79 RECQL (0.51) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL5997041 0.77 CDK1 (0.48) CDK2LMNAKMT2A
SCHEMBL3302949 0.77 PDE10A (0.42) CDK2CDK9DYRK1AMAPT
SCHEMBL3298449 0.77 CDK2 (0.40) CDK2CDK9ADORA2ABRD4SLC40A1
SCHEMBL3302002 0.77 MEN1 (0.47) ALDH1A1LMNAMAPTALOX15KMT2A
SCHEMBL3299442 0.76 CYP1A2 (0.40) FGFR1KDRJAK3DYRK1BDYRK1A
SCHEMBL3304345 0.76 KCNH3 (0.39) KDRCDK2CDK9KDM4EALDH1A1
SCHEMBL3300224 0.74 CDK2 (0.38) FGFR1KDRCDK2CDK9JAK3
SCHEMBL17443005 0.74 MAP2K4 (0.43) KDM4EALDH1A1LMNAMAPTKMT2A

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
CN-101679434-B 2, 6, 9-substituted purine derivatives having anti proliferative properties CYCLACEL LTD 2013-09-25 CN 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
CN-101679434-A Has 2,6 of anti proliferative properties, the purine derivative that 9-replaces CYCLACEL LTD 2010-03-24 CN 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 IGF1R 368/4885FGFR1 392/4885KDR 3026/4885

“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.