SCHEMBL26627022

SCHEMBL26627022

CN(C)[C@H]1CC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(P(C)(C)=O)cccc34)n2)C1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 18/20 0.72
▸ CCNK O75909 18/20 0.72
▸ CDK9 P50750 18/20 0.72
▸ CDK12 Q9NYV4 18/20 0.72
▸ CCNE1 P24864 15/20 0.72
▸ CDK2 P24941 15/20 0.72
▸ CDK7 P50613 9/20 0.72
▸ CCNH P51946 9/20 0.72
▸ MNAT1 P51948 7/20 0.59
▸ CYP2D6 P10635 1/20 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
SCHEMBL24588842 0.89 CCNT1 (0.73) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588064 0.89 CCNK (0.73) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588204 0.88 CCNK (0.84) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29498413 0.87 CCNK (0.77) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30685928 0.87 CCNK (0.84) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29492546 0.86 CCNK (0.76) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29498461 0.86 CCNK (0.76) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29492528 0.86 CCNK (0.76) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29492532 0.85 CCNT1 (0.71) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588157 0.84 CCNK (1.00) CCNT1CCNKCDK9CDK12CCNE1

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-20240124504-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF EXSCIENTIA AI LIMITED (GB) 2024-04-18 — — US disclosed
EP-4269403-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 — — EP 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-20240124504-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF CDK7, CDK17, CDK8 CCNT1 47/4885CCNK 33/4885CDK9 4/4885

“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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