SCHEMBL12256129

SCHEMBL12256129

COC(=O)c1nc(NC(=O)c2nccn2C)cn1C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
GRM1 Q13255 4/20 0.38
RPS6KA3 P51812 1/20 0.37
GRM4 Q14833 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NTRK1 P04629 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
LDHA P00338 2/20 0.35
LDHB P07195 2/20 0.35
HPGDS O60760 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
SCHEMBL5331221 0.99 NAMPT (0.46) NAMPTROCK2ROCK1KDM4EPOLB
SCHEMBL14361792 0.88 NAMPT (0.38) NAMPTROCK2ROCK1KDM4EPOLB
SCHEMBL14072168 0.87 RPS6KA3 (0.48) NAMPTROCK2ROCK1KDM4EPOLB
SCHEMBL13952739 0.86 NAMPT (0.49) NAMPTROCK2ROCK1KDM4EPOLB
SCHEMBL5332204 0.86 NAMPT (0.49) NAMPTROCK2ROCK1KDM4EPOLB
SCHEMBL12256159 0.85 NAMPT (0.48) NAMPTROCK2ROCK1KDM4EPOLB
SCHEMBL5455808 0.85 NAMPT (0.48) NAMPTROCK2ROCK1KDM4EPOLB
SCHEMBL6431430 0.85 NAMPT (0.48) NAMPTROCK2ROCK1KDM4EPOLB
SCHEMBL14388704 0.85 NAMPT (0.48) NAMPTROCK2ROCK1KDM4EPOLB
SCHEMBL6433630 0.85 NAMPT (0.45) NAMPTROCK2ROCK1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017599-B2 Sequence selective pyrrole and imidazole polyamide metallocomplexes UNIVERSITY OF WESTERN SYDNEY (AU) 2011-09-13 US disclosed
US-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes UNIVERSITY OF WESTERN SYDNEY (AU) 2007-11-15 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-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes POLRMT, MPI, PPIF NAMPT 495/4885ROCK2 3694/4885ROCK1 4269/4885

“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.