SCHEMBL22900902

SCHEMBL22900902

CC(C)(C)OC(=O)N1CCC(Nc2ncc(C#N)c(-c3cn[nH]c3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 2/20 0.53
▸ GPR119 Q8TDV5 5/20 0.48
▸ CDK2 P24941 2/20 0.47
▸ CCNT1 O60563 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ CCNE1 P24864 1/20 0.47
▸ CCND3 P30281 1/20 0.47
▸ CDK7 P50613 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CCNH P51946 1/20 0.47
▸ MNAT1 P51948 1/20 0.47
▸ CDK6 Q00534 1/20 0.47
▸ MAPK8 P45983 2/20 0.46
▸ MAPK9 P45984 2/20 0.46
▸ MAPK10 P53779 2/20 0.46
▸ JUN P05412 1/20 0.46
▸ NSD2 O96028 2/20 0.45

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
SCHEMBL22900783 0.85 JAK1 (0.54) JAK1GPR119CDK2CCNT1CDK1
SCHEMBL29926869 0.85 JAK1 (0.54) JAK1GPR119CDK2CCNT1CDK1
SCHEMBL22900807 0.82 NSD2 (0.49) GPR119NSD2PIK3CDALDH1A1NPC1
SCHEMBL3776834 0.82 NSD2 (0.49) GPR119CDK2CDK1CDK4CCND1
SCHEMBL25330388 0.81 JAK1 (0.52) JAK1GPR119CDK2MAPK8MAPK9
SCHEMBL25330394 0.81 JAK1 (0.52) JAK1GPR119CDK2MAPK8MAPK9
SCHEMBL26918653 0.81 NSD2 (0.52) JAK1GPR119NSD2PIK3CDALDH1A1
SCHEMBL22900827 0.81 CDK2 (0.55) JAK1CDK2CCNT1CDK1CDK4
SCHEMBL3774992 0.77 GPR119 (0.57) GPR119NSD2ALDH1A1NPC1MAPT
SCHEMBL16797325 0.77 GPR119 (0.52) GPR119CDK2MAPK8MAPK9MAPK10

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-11472791-B2 Pyrazolyl pyrimidinylamine compounds as CDK2 inhibitors INCYTE CORPORATION (US) 2022-10-18 — — US disclosed
US-20210017156-A1 PYRAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION 2021-01-21 — — 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 (2 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-20210017156-A1 PYRAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK2AP2, CDK4 JAK1 500/4885GPR119 3440/4885CDK2 1/4885
US-11472791-B2 Pyrazolyl pyrimidinylamine compounds as CDK2 inhibitors CDK2, CDK2AP2, CDK4 JAK1 500/4885GPR119 3440/4885CDK2 1/4885

“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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