SCHEMBL19605708

SCHEMBL19605708

CNc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(C(F)(F)F)c(-c4n[nH]c5c(C)cccc45)n3)C2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.47
▸ CDK12 Q9NYV4 18/20 0.47
▸ CCNE1 P24864 16/20 0.47
▸ CDK2 P24941 16/20 0.47
▸ CCNT1 O60563 16/20 0.47
▸ CDK9 P50750 16/20 0.47
▸ CDK7 P50613 8/20 0.41
▸ CCNH P51946 8/20 0.41
▸ MNAT1 P51948 6/20 0.41

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
SCHEMBL19600383 0.93 CCNT1 (0.43) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL19605656 0.92 CCNK (0.48) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL17688384 0.91 CCNT1 (0.57) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL19600385 0.85 CDK7 (0.45) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL17688431 0.83 CCNT1 (0.58) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL17688397 0.83 CCNK (0.54) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL19605661 0.80 CCNT1 (0.45) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL17688422 0.78 CCNK (0.54) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL19605655 0.78 CCNT1 (0.55) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL19600367 0.77 CDK7 (0.49) CCNKCDK12CCNE1CDK2CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200123499-A1 METHOD FOR EFFICIENT GENERATION OF NEURONS FROM NON-NEURONAL CELLS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-04-23 — — US disclosed
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-11-16 — — 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-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CCNK 6/4885CDK12 28/4885CCNE1 49/4885

“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.

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