SCHEMBL29926681

SCHEMBL29926681

C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ncc(C#N)c(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 13/20 0.44
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ PIK3CD O00329 1/20 0.41
▸ USP30 Q70CQ3 2/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ NSD2 O96028 1/20 0.39

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
SCHEMBL22900884 1.00 GPR119 (0.44) GPR119CDK4CCND1CCND3CDK6
SCHEMBL29926792 0.91 CDK4 (0.42) GPR119CDK4CCND1CCND3CDK6
SCHEMBL22900807 0.86 NSD2 (0.49) GPR119PIK3CDUSP30NSD2
SCHEMBL22900801 0.84 CDK4 (0.44) GPR119CDK4CCND1CCND3CDK6
SCHEMBL29820639 0.84 CDK4 (0.44) GPR119CDK4CCND1CCND3CDK6
SCHEMBL30449822 0.79 JAK3 (0.41) GPR119CDK4CCND1CCND3USP30
SCHEMBL16202671 0.77 SYK (0.47) JAK3BTK
SCHEMBL16671765 0.77 PIK3CD (0.49) GPR119CDK4CCND1PIK3CDUSP30
SCHEMBL25979979 0.77 CCND3 (0.46) GPR119CDK4CCND1CCND3CDK6
SCHEMBL23292325 0.76 CCNK (0.61) PIK3CDUSP30NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472791-B2 Pyrazolyl pyrimidinylamine compounds as CDK2 inhibitors INCYTE CORPORATION (US) 2022-10-18 — — US 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-11472791-B2 Pyrazolyl pyrimidinylamine compounds as CDK2 inhibitors CDK2, CDK2AP2, CDK4 GPR119 3440/4885CDK4 3/4885CCND1 51/4885

“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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