SCHEMBL9949691

SCHEMBL9949691

CC(C)OC(=O)N1CCCC(C(=O)Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)C1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 14/20 0.59
CDK9 P50750 7/20 0.49
CCNK O75909 3/20 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
SCHEMBL9949688 1.00 CCNT1 (0.59) CCNT1CDK9CCNK
SCHEMBL9949440 0.93 CCNT1 (0.62) CCNT1CDK9CCNK
SCHEMBL9949436 0.93 CCNT1 (0.62) CCNT1CDK9CCNK
SCHEMBL1441057 0.91 CCNT1 (0.60) CCNT1CDK9CCNK
SCHEMBL1439560 0.91 CCNT1 (0.60) CCNT1CDK9CCNK
SCHEMBL1439981 0.91 CCNT1 (0.60) CCNT1CDK9CCNK
SCHEMBL10285389 0.90 CCNT1 (0.64) CCNT1CDK9CCNK
SCHEMBL10285382 0.90 CCNT1 (0.64) CCNT1CDK9CCNK
SCHEMBL1439549 0.90 CCNT1 (0.64) CCNT1CDK9CCNK
SCHEMBL1439911 0.88 CCNT1 (0.60) CCNT1CDK9CCNK

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 39/4885CDK9 16/4885CCNK 23/4885

“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.