SCHEMBL9950002

SCHEMBL9950002

NC(=O)c1cc(-c2cccc(NCC3CCOCC3)n2)c(Cl)cn1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 17/20 0.66
HDAC3 O15379 3/20 0.58
CDK9 P50750 3/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58

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
SCHEMBL1439306 0.88 CCNT1 (0.68) CCNT1CDK9
SCHEMBL1463033 0.85 CCNT1 (0.68) CCNT1HDAC3CDK9HDAC1HDAC6
SCHEMBL1949085 0.84 CCNT1 (0.70) CCNT1HDAC3CDK9HDAC1HDAC6
SCHEMBL1947792 0.84 CCNT1 (0.70) CCNT1HDAC3CDK9HDAC1HDAC6
SCHEMBL12827065 0.83 CCNT1 (0.75) CCNT1HDAC3CDK9HDAC1HDAC6
SCHEMBL1192532 0.83 CCNT1 (0.72) CCNT1CDK9
SCHEMBL1945582 0.82 CCNT1 (0.68) CCNT1HDAC3CDK9HDAC1HDAC6
SCHEMBL12826904 0.82 CCNT1 (0.69) CCNT1HDAC3CDK9HDAC1HDAC6
SCHEMBL9929727 0.82 CDK9 (0.49) CCNT1HDAC3CDK9HDAC1HDAC6
SCHEMBL1463028 0.81 CCNT1 (0.67) CCNT1HDAC3CDK9HDAC1HDAC6

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 claimed

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 39/4885HDAC3 391/4885CDK9 16/4885

“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.