SCHEMBL21188533

SCHEMBL21188533

CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4ncccc34)n2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.53
▸ CCNK O75909 16/20 0.53
▸ CDK12 Q9NYV4 15/20 0.53
▸ CCNE1 P24864 13/20 0.53
▸ CCNT1 O60563 11/20 0.53
▸ CDK9 P50750 11/20 0.53
▸ CCNA2 P20248 1/20 0.52
▸ CDK13 Q14004 1/20 0.52
▸ CDK7 P50613 9/20 0.51
▸ CCNH P51946 9/20 0.51
▸ MNAT1 P51948 8/20 0.51
▸ JUN P05412 2/20 0.50
▸ MAPK8 P45983 2/20 0.50
▸ MAPK9 P45984 2/20 0.50
▸ MAPK10 P53779 2/20 0.50
▸ TRPV1 Q8NER1 1/20 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
SCHEMBL29083554 1.00 CDK2 (0.53) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL29749300 1.00 CDK2 (0.53) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL31006875 0.90 CDK2 (0.61) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL21178818 0.89 CCNK (0.57) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL21179237 0.89 CCNK (0.53) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL25329833 0.88 CCNK (0.51) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL21178562 0.88 CDK7 (0.49) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL24583204 0.88 CCNK (0.52) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL21188444 0.88 CCNK (0.54) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL29492509 0.88 CCNK (0.63) CDK2CCNKCDK12CCNE1CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4269402-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 — — EP disclosed
CN-116670123-A Aromatic heterocyclic compound, pharmaceutical composition and application thereof 湃隆生物科技有限公司(香港) 2023-08-29 — — CN disclosed
WO-2022134641-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 湃隆生物科技有限公司(香港) 2022-06-30 — — WO disclosed
US-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2022-04-26 — — US disclosed
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2021-12-09 — — US disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO 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 (2 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-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) CDK7, CDK3, CCNK CDK2 10/4885CCNK 3/4885CDK12 27/4885
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK CDK2 10/4885CCNK 3/4885CDK12 27/4885

“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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