SCHEMBL9950079

SCHEMBL9950079

COC(=O)N[C@@H]1CC[C@H](C(=O)Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)C1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 17/20 0.62
CDK9 P50750 4/20 0.53
CCNK O75909 1/20 0.53
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51

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
SCHEMBL9950015 0.91 CCNT1 (0.66) CCNT1CDK9CCNK
SCHEMBL9949411 0.91 CCNT1 (0.66) CCNT1CDK9CCNK
SCHEMBL9949247 0.91 CCNT1 (0.66) CCNT1CDK9CCNK
SCHEMBL1947126 0.89 CCNT1 (0.62) CCNT1CDK9CCNK
SCHEMBL1948792 0.89 CCNT1 (0.62) CCNT1CDK9CCNK
SCHEMBL1947792 0.88 CCNT1 (0.70) CCNT1CDK9HDAC3HDAC1HDAC6
SCHEMBL1948656 0.87 CCNT1 (0.62) CCNT1CDK9CCNKHDAC3HDAC1
SCHEMBL1462984 0.87 CCNT1 (0.62) CCNT1CDK9CCNKHDAC3HDAC1
SCHEMBL1463013 0.87 CCNT1 (0.62) CCNT1CDK9CCNKHDAC3HDAC1
SCHEMBL1945582 0.86 CCNT1 (0.68) CCNT1CDK9HDAC3HDAC1HDAC6

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 39/4885CDK9 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.