SCHEMBL22287076

SCHEMBL22287076

CC(C)(C)n1nc([C@H]2C[CH]CC2)cc1N

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ TGFBR1 P36897 1/20 0.30

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
SCHEMBL25221931 1.00 SMN1; SMN2 (0.34) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL17387673 0.85 CYP3A4 (0.43) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL2419398 0.85 CYP3A4 (0.43) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL24741970 0.82 NPC1 (0.50) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL4712988 0.82 SMN1; SMN2 (0.46) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL25346203 0.82 SMN1; SMN2 (0.33) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL24742033 0.77 CYP3A4 (0.36) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL31503458 0.76 CYP3A4 (0.38) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL24741784 0.76 CYP3A4 (0.38) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL29207594 0.76 CYP3A4 (0.38) SMN1; SMN2NPC1LMNATP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321042-A1 COMBINATION THERAPY PFIZER INC. (US) 2023-10-12 — — US disclosed
US-11773082-B2 CDK2 inhibitors PFIZER INC. (US) 2023-10-03 — — US disclosed
US-11718603-B2 CDK2 inhibitors PFIZER INC. (US) 2023-08-08 — — US disclosed
WO-2023092107-A1 CDK2 INHIBITORS AND METHODS OF MAKING AND USING SAME BLUEPRINT MEDICINES CORPORATION (US) 2023-05-25 — — WO disclosed
EP-4181919-A1 COMBINATION THERAPY Pfizer Inc. (US) 2023-05-24 — — EP disclosed
WO-2023083201-A1 AMINOPYRAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海拓界生物医药科技有限公司 2023-05-19 — — WO disclosed
EP-3917913-A2 3-CARBONYLAMINO-5-CYCLOPENTYL-1H-PYRAZOLE COMPOUNDS HAVING INHIBITORY ACTIVITY ON CDK2 Pfizer Inc. (US) 2021-12-08 — — EP disclosed
US-11014911-B2 CDK2 inhibitors PFIZER INC. (US) 2021-05-25 — — US disclosed
WO-2020157652-A2 CDK2 INHIBITORS PFIZER INC. (US) 2020-08-06 — — WO disclosed
US-20200247784-A1 CDK2 INHIBITORS PFIZER INC. (US) 2020-08-06 — — 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 (5 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-20200247784-A1 CDK2 INHIBITORS CDK2, CDK1, CCNI SMN1; SMN2 1988/4885NPC1 3325/4885LMNA 1764/4885
US-11773082-B2 CDK2 inhibitors CDK2, CDK1, CCNI SMN1; SMN2 1988/4885NPC1 3325/4885LMNA 1764/4885
US-11718603-B2 CDK2 inhibitors CDK2, CDK1, CCNI SMN1; SMN2 1988/4885NPC1 3325/4885LMNA 1764/4885
US-20230321042-A1 COMBINATION THERAPY CDK4, CDK6, CDK2 SMN1; SMN2 3370/4885NPC1 4116/4885LMNA 3075/4885
US-11014911-B2 CDK2 inhibitors CDK2, CDK1, CCNI SMN1; SMN2 1988/4885NPC1 3325/4885LMNA 1764/4885

“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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