SCHEMBL25222807

SCHEMBL25222807

COc1nc(N[C@@H]2CCC[C@H](n3cnc4cc(Br)ccc43)C2)ncc1C#N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 1/20 0.40
▸ CDK12 Q9NYV4 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.37
▸ PTK2 Q05397 2/20 0.36
▸ IDH1 O75874 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ EGFR P00533 3/20 0.35
▸ CCNE2 O96020 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ MAPK6 Q16659 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL30534010 1.00 CCNK (0.40) CCNKCDK12LRRK2PTK2IDH1
SCHEMBL25222780 0.90 CCNK (0.41) CCNKCDK12LRRK2IDH1ALDH1A1
SCHEMBL30534017 0.90 CCNK (0.41) CCNKCDK12LRRK2IDH1ALDH1A1
SCHEMBL30534003 0.85 CCNK (0.39) CCNKCDK12LRRK2IDH1EGFR
SCHEMBL25220351 0.85 CCNK (0.39) CCNKCDK12LRRK2IDH1EGFR
SCHEMBL25218676 0.83 CDK12 (0.58) CCNKCDK12ALDH1A1TP53EGFR
SCHEMBL30464442 0.83 CDK12 (0.58) CCNKCDK12ALDH1A1TP53EGFR
SCHEMBL25218493 0.82 CCNK (0.39) CCNKCDK12LRRK2IDH1CCNE2
SCHEMBL30533951 0.82 CCNK (0.39) CCNKCDK12LRRK2IDH1CCNE2
SCHEMBL25268687 0.79 CCNK (0.43) CCNKCDK12LRRK2PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CCNK 17/4885CDK12 1/4885LRRK2 467/4885

“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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