SCHEMBL29508806

SCHEMBL29508806

CSc1ncc2cc(C#N)c(=O)n(C3CCC(C)CC3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUAK1 O60285 3/20 0.50
▸ CCND1 P24385 5/20 0.46
▸ CDK2 P24941 5/20 0.46
▸ CDK4 P11802 4/20 0.46
▸ CCNE1 P24864 4/20 0.46
▸ CDK6 Q00534 4/20 0.46
▸ CCNT1 O60563 3/20 0.46
▸ CDK9 P50750 3/20 0.46
▸ CCNA2 P20248 2/20 0.46
▸ PIK3CD O00329 1/20 0.46
▸ PRKAB2 O43741 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ RET P07949 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ MARK3 P27448 1/20 0.46

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
SCHEMBL22860491 1.00 NUAK1 (0.50) NUAK1CCND1CDK2CDK4CCNE1
SCHEMBL22860290 1.00 NUAK1 (0.50) NUAK1CCND1CDK2CDK4CCNE1
SCHEMBL29508796 0.91 NUAK1 (0.59) NUAK1CCND1CDK2CDK4CCNE1
SCHEMBL22860694 0.91 NUAK1 (0.56) NUAK1CCND1CDK2CDK4CCNE1
SCHEMBL22165942 0.91 NUAK1 (0.59) NUAK1CCND1CDK2CDK4CCNE1
SCHEMBL29508775 0.91 NUAK1 (0.56) NUAK1CCND1CDK2CDK4CCNE1
SCHEMBL29507736 0.90 NUAK1 (0.58) NUAK1CCND1CDK2CDK4CCNE1
SCHEMBL22860415 0.90 NUAK1 (0.58) NUAK1CCND1CDK2CDK4CCNE1
SCHEMBL22860410 0.85 NUAK1 (0.46) NUAK1CCND1CDK2CDK4CCNE1
SCHEMBL29507882 0.85 NUAK1 (0.46) NUAK1CCND1CDK2CDK4CCNE1

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-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO OPERATING COMPANY LLC 2022-09-01 — — US disclosed
EP-3993802-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-05-11 — — 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-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 NUAK1 227/4885CCND1 45/4885CDK2 6/4885

“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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