SCHEMBL3127050

SCHEMBL3127050

COC1(OC)CC(c2cc(N)n(C(C)(C)C)n2)C1

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL29362111 0.89 CYP3A4 (0.31) CYP3A4GAACYP2C19NPC1LMNA
SCHEMBL22286996 0.89 CYP3A4 (0.31) CYP3A4GAACYP2C19NPC1LMNA
SCHEMBL14366680 0.82 CYP3A4 (0.30) CYP3A4GAACYP2C19
SCHEMBL14392453 0.80 NPC1 (0.32) NPC1LMNATP53PKMRAB9A
SCHEMBL25939349 0.80 — —
SCHEMBL2419398 0.79 CYP3A4 (0.43) CYP3A4GAACYP2C19NPC1LMNA
SCHEMBL17387673 0.79 CYP3A4 (0.43) CYP3A4GAACYP2C19NPC1LMNA
SCHEMBL24741970 0.76 NPC1 (0.50) CYP3A4GAACYP2C19NPC1LMNA
SCHEMBL4712988 0.76 SMN1; SMN2 (0.46) CYP3A4GAACYP2C19NPC1LMNA
SCHEMBL25346203 0.76 SMN1; SMN2 (0.33) CYP3A4GAACYP2C19NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4587438-A1 BICYCLIC COMPOUNDS AS CDK INHIBITORS BeiGene Switzerland GmbH (CH) 2025-07-23 — — EP disclosed
CN-119894890-A Bicyclic compounds as CDK inhibitors 百济神州(苏州)生物科技有限公司 2025-04-25 — — CN disclosed
EP-1689721-B1 AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2010-07-14 — — EP disclosed
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 — — US disclosed
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 — — US disclosed
EP-1641455-B1 PYRAZOLO[3,4-B]PYRIDIN-6-ONES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2008-08-06 — — EP disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 — — US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 — — US disclosed
US-7300944-B2 Pyrazolo[3,4-b]pyridin-6-ones as GSK-3 inhibitors PFIZER INC. (US) 2007-11-27 — — US disclosed
US-7300944-B2 Pyrazolo[3,4-b]pyridin-6-ones as GSK-3 inhibitors PFIZER INC. (US) 2007-11-27 — — US disclosed
EP-1689721-A1 AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS Pfizer Products Inc. (US) 2006-08-16 — — EP disclosed
EP-1641455-A1 PYRAZOLO[3,4-B]PYRIDIN-6-ONES AS GSK-3 INHIBITORS Pfizer Products Inc. (US) 2006-04-05 — — EP disclosed
WO-2005051919-A1 AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-06-09 — — WO disclosed
WO-2005000304-A1 PYRAZOLO[3,4-B]PYRIDIN-6-ONES AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-01-06 — — WO disclosed
US-20040266815-A1 Pyrazolo[3,4-b]pyridin-6-ones as GSK-3 inhibitors PFIZER INC 2004-12-30 — — 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP CYP3A4 460/4885GAA 3567/4885CYP2C19 199/4885
US-20040266815-A1 Pyrazolo[3,4-b]pyridin-6-ones as GSK-3 inhibitors GSK3B, GSK3A, GSKIP CYP3A4 469/4885GAA 3526/4885CYP2C19 174/4885

“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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