SCHEMBL3299442

SCHEMBL3299442

Cc1cc(CNc2nc(F)nc3[nH]cnc23)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
WNT3A P56704 15/20 0.39
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
FLT1 P17948 1/20 0.36
LTK P29376 1/20 0.36
GRK5 P34947 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL3300224 0.87 CDK2 (0.38) WNT3AAURKADAPK3JAK2PRKD3
SCHEMBL20119680 0.85 TMIGD3 (0.45) CYP1A2CYP3A4WNT3ALRRK2PDE2A
SCHEMBL3304345 0.83 KCNH3 (0.39) CYP1A2JAK2KDR
SCHEMBL3302949 0.81 PDE10A (0.42) CYP3A4WNT3AAURKAABL1LCK
SCHEMBL3298944 0.80 AURKA (0.56) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL17443005 0.79 MAP2K4 (0.43) AURKA
SCHEMBL5997041 0.79 CDK1 (0.48) CYP1A2JAK2
SCHEMBL3302062 0.78 TMIGD3 (0.56) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL3298928 0.78 CDK1 (0.41) ABL1GSK3ACDK7JAK3CDK5
SCHEMBL30539331 0.78 CDK1 (0.41) ABL1GSK3ACDK7JAK3CDK5

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 5 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
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 CYP1A2 960/4885CYP3A4 1341/4885WNT3A 3372/4885

“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.