SCHEMBL26628944

SCHEMBL26628944

C[C@H]1CC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4nc(N5CCOC[C@@H]5C)ccc34)n2)CN1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.51
▸ CDK12 Q9NYV4 18/20 0.51
▸ CCNE1 P24864 14/20 0.51
▸ CDK2 P24941 14/20 0.51
▸ CCNT1 O60563 13/20 0.51
▸ CDK9 P50750 13/20 0.51
▸ CDK7 P50613 13/20 0.51
▸ CCNH P51946 13/20 0.51
▸ MNAT1 P51948 9/20 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
SCHEMBL24584388 1.00 CCNK (0.51) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24588975 0.89 CCNK (0.63) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24583148 0.89 CCNK (0.63) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24583133 0.89 CCNK (0.63) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24588268 0.88 CCNK (0.46) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24584008 0.88 CCNK (0.59) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29083578 0.88 CCNK (0.61) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24583188 0.88 CCNK (0.61) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24583279 0.87 CCNK (0.49) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24584175 0.87 CCNK (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-20240132489-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF EXSCIENTIA AI LIMITED (GB) 2024-04-25 — — US disclosed
EP-4269402-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE 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-20240132489-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF CDK7, CDK17, CDK8 CCNK 39/4885CDK12 38/4885CCNE1 79/4885

“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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