SCHEMBL9949449

SCHEMBL9949449

NC(=O)c1cc(-c2cncc(NCc3cccnc3)n2)c(Cl)cn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.51
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CDK9 P50750 5/20 0.47
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
RET P07949 1/20 0.45
SCN9A Q15858 1/20 0.44
VNN1 O95497 1/20 0.43
HDAC1 Q13547 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
RECQL P46063 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
SCHEMBL9949992 0.84 CCNT1 (0.50) CCNT1
SCHEMBL9950495 0.84 CCNT1 (0.49) CCNT1
SCHEMBL9949452 0.84 CCNT1 (0.59) CCNT1CYP1A2CYP3A4CDK9
SCHEMBL9949468 0.84 RET (0.45) CCNT1CYP1A2CYP3A4RETSCN9A
SCHEMBL9949833 0.82 CCNT1 (0.56) CCNT1
SCHEMBL9949767 0.81 CCNT1 (0.43) CCNT1CYP1A2CYP3A4VNN1
SCHEMBL22792330 0.80 RECQL (0.55) CYP1A2CYP3A4CDK5CDK5R1RET
SCHEMBL9949639 0.77 KDM4E (0.41) CCNT1
SCHEMBL9950120 0.77 KDM4E (0.41) CCNT1
SCHEMBL9949605 0.77 CCNT1 (0.57) CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 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-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI CCNT1 39/4885CYP1A2 2152/4885CYP3A4 2968/4885

“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.