SCHEMBL1192701

SCHEMBL1192701

NC1CCC(N)(c2cc(-c3cnc(C4CC4)c(NCC4CCOCC4)n3)c(Cl)cn2)CC1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 16/20 0.72
CCNK O75909 4/20 0.49
CDK9 P50750 4/20 0.49

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
SCHEMBL12466095 0.90 CCNT1 (0.59) CCNT1CCNKCDK9
SCHEMBL12465693 0.89 CCNT1 (0.71) CCNT1CCNKCDK9
SCHEMBL1191824 0.87 CCNT1 (0.72) CCNT1CCNKCDK9
SCHEMBL1225395 0.84 CCNT1 (0.64) CCNT1CCNKCDK9
SCHEMBL12850478 0.83 CCNT1 (1.00) CCNT1CCNKCDK9
SCHEMBL21747559 0.81 CCNK (0.74) CCNT1CCNKCDK9
SCHEMBL1193594 0.81 CCNT1 (0.68) CCNT1CCNKCDK9
SCHEMBL1225400 0.79 CCNT1 (0.58) CCNT1CCNKCDK9
SCHEMBL12898185 0.78 CCNT1 (0.84) CCNT1CCNKCDK9
SCHEMBL12466158 0.77 CCNT1 (0.56) CCNT1CCNKCDK9

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-20110028492-A1 Heteroaryl Compounds and Their Uses NOVARTIS AG (CH) 2011-02-03 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-20110028492-A1 Heteroaryl Compounds and Their Uses CDK9, CDK19, CDK3 CCNT1 76/4885CCNK 39/4885CDK9 1/4885

“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.