SCHEMBL25218676

SCHEMBL25218676

C=CC(=O)Nc1ccc2c(c1)ncn2[C@H]1CCC[C@@H](Nc2ncc(C#N)c(OC)n2)C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK12 Q9NYV4 15/20 0.58
▸ CCNK O75909 14/20 0.58
▸ ALDH1A1 P00352 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CDK13 Q14004 1/20 0.44
▸ CCNA2 P20248 9/20 0.43
▸ CDK2 P24941 9/20 0.43
▸ CDK7 P50613 9/20 0.43
▸ CCNH P51946 9/20 0.43
▸ MNAT1 P51948 9/20 0.43
▸ EGFR P00533 1/20 0.40

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
SCHEMBL30464442 1.00 CDK12 (0.58) CDK12CCNKALDH1A1TP53CDK13
SCHEMBL25221127 0.90 CDK12 (0.58) CDK12CCNKCDK13CCNA2CDK2
SCHEMBL30533853 0.87 CDK12 (0.59) CDK12CCNKCDK13CCNA2CDK2
SCHEMBL25219464 0.87 CDK12 (0.59) CDK12CCNKCDK13CCNA2CDK2
SCHEMBL25269289 0.87 CCNK (0.53) CDK12CCNKCDK13CCNA2CDK2
SCHEMBL30533864 0.87 CCNK (0.53) CDK12CCNKCDK13CCNA2CDK2
SCHEMBL25268914 0.85 CDK12 (0.56) CDK12CCNKCDK13CCNA2CDK2
SCHEMBL30533789 0.85 CDK12 (0.56) CDK12CCNKCDK13CCNA2CDK2
SCHEMBL25222780 0.83 CCNK (0.41) CDK12CCNKALDH1A1TP53CDK2
SCHEMBL25222807 0.83 CCNK (0.40) CDK12CCNKALDH1A1TP53CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 — — US claimed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 — — WO claimed
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 — — US disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 — — WO disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 — — 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 (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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 CDK12 1/4885CCNK 17/4885ALDH1A1 4330/4885

“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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