SCHEMBL25220111

SCHEMBL25220111

COc1nc(N[C@@H]2CCC[C@H](c3nc4cc(NC(=O)CCl)ccc4n3C)C2)ncc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 4/20 0.43
▸ CDK12 Q9NYV4 4/20 0.43
▸ IDH1 O75874 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CCNA2 P20248 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CDK7 P50613 2/20 0.36
▸ CCNH P51946 2/20 0.36
▸ MNAT1 P51948 2/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ AGPAT2 O15120 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL30533842 1.00 CCNK (0.43) CCNKCDK12IDH1LRRK2MAPT
SCHEMBL25221362 0.91 CCNK (0.45) CCNKCDK12IDH1LRRK2CCNA2
SCHEMBL30464365 0.91 CCNK (0.45) CCNKCDK12IDH1LRRK2CCNA2
SCHEMBL30533845 0.90 CCNK (0.45) CCNKCDK12IDH1LRRK2CCNA2
SCHEMBL25219599 0.90 CCNK (0.45) CCNKCDK12IDH1LRRK2CCNA2
SCHEMBL25268914 0.89 CDK12 (0.56) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL30533789 0.89 CDK12 (0.56) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL25219503 0.89 CCNK (0.43) CCNKCDK12IDH1LRRK2LMNA
SCHEMBL25217821 0.89 CCNK (0.44) CCNKCDK12IDH1LRRK2CCNA2
SCHEMBL30533879 0.89 CCNK (0.43) CCNKCDK12IDH1LRRK2LMNA

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
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

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 CCNK 17/4885CDK12 1/4885IDH1 738/4885

“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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