SCHEMBL4489618

SCHEMBL4489618

O=[N+]([O-])c1cccc(Nc2nc(Cl)nc3[nH]cnc23)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.48
ABCG2 Q9UNQ0 6/20 0.47
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
KCNH2 Q12809 1/20 0.46
ROCK1 Q13464 1/20 0.46
PDE5A O76074 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CDK4 P11802 1/20 0.44
CDK2 P24941 1/20 0.44
EGFR P00533 2/20 0.44

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
SCHEMBL5839889 0.85 MEN1 (0.50) SRCABCG2KMT2AMEN1ROCK1
SCHEMBL4924788 0.82 ABCG2 (0.59) SRCABCG2ALDH1A1KMT2AMEN1
SCHEMBL3001568 0.81 BRAF (0.53) KMT2AMEN1EGFR
SCHEMBL21473892 0.80 BRAF (0.46) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL2995190 0.79 BRAF (0.52) SRCGLAEGFR
SCHEMBL2995233 0.79 BRAF (0.51) ABCG2EGFR
SCHEMBL7106210 0.78 GSK3B (0.53) ABCG2ALDH1A1KMT2AMEN1NPC1
SCHEMBL7106217 0.78 GSK3B (0.53) ABCG2ALDH1A1KMT2AMEN1NPC1
SCHEMBL3001378 0.78 NFKB1 (0.46) KMT2AMEN1MAPTEGFR
SCHEMBL7108109 0.78 TOP2A (0.55) ALDH1A1KMT2AMEN1NPC1RAB9A

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-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
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 (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-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders TYMP, PNP, IMPDH1 SRC 1374/4885ABCG2 1480/4885ALDH1A1 1301/4885

“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.