SCHEMBL768929

SCHEMBL768929

Cc1cncc(OBOc2cncc(C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.38
▸ CHRNB1 P11230 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ CHRNB3 Q05901 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.38
▸ CYP2A6 P11509 3/20 0.33
▸ CYP3A4 P08684 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ GCK P35557 2/20 0.31
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1B1 Q16678 1/20 0.30
▸ VEGFA P15692 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
SCHEMBL1863295 0.77 CYP1A1 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4CYP3A4
SCHEMBL91463 0.76 — —
SCHEMBL29465753 0.76 — —
SCHEMBL875081 0.73 CHRNB2 (0.46) CHRNB2CHRNA4
SCHEMBL1865390 0.73 HCAR2 (0.38) HCAR2CYP3A4VEGFA
SCHEMBL28487252 0.73 ATM (0.38) ATMCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL2215868 0.72 CHRNB2 (0.43) CHRNB2CHRNA4GCK
SCHEMBL2214269 0.72 CYP11B1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1866648 0.72 CYP11B1 (0.33) —
SCHEMBL364636 0.72 ALDH1A1 (0.44) CYP3A4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120091815-A T-type voltage-gated calcium channel enhancer 广泛研究所股份有限公司 2025-06-03 — — CN disclosed
CN-118515663-A Imidazopyridine or imidazopyrazine compounds, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-08-20 — — CN disclosed
CN-117279896-A Amino substituted pyrido ring compounds, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-12-22 — — CN disclosed
CN-116848107-A Compounds and their use as PDE4 activators 米罗尼德有限公司 2023-10-03 — — CN disclosed
CN-116685583-A Pyrimidine compounds, compositions and pharmaceutical uses thereof 缆图药品公司 2023-09-01 — — CN disclosed
CN-116490503-A Casein kinase 1 delta modulators 詹森药业有限公司 2023-07-25 — — CN disclosed
CN-112585128-B Pyrazole derivatives as MALT1 inhibitors 詹森药业有限公司 2023-02-21 — — CN disclosed
CN-115531387-A Pyrazole amide compounds useful as IRAK inhibitors 里格尔药品股份有限公司 2022-12-30 — — CN disclosed
CN-110234637-B Pyrazole amide compounds useful as IRAK inhibitors 里格尔药品股份有限公司 2022-11-01 — — CN disclosed
CN-114269730-A 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists 多曼治疗学公司 2022-04-01 — — CN disclosed
EP-2493877-B1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-17 — — EP disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 — — US disclosed
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-11-21 — — US disclosed
US-8513271-B2 Pyrimidine compounds as delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 — — US disclosed
EP-2493877-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 — — EP disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 — — US disclosed
US-20110178065-A1 NOVEL CYP17 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2011-07-21 — — US disclosed
WO-2011088160-A2 NOVEL CYP17 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2011-07-21 — — WO disclosed
WO-2011053705-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 — — WO disclosed
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 — — 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 (4 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-20110178065-A1 NOVEL CYP17 INHIBITORS CYP17A1, CYP21A2, HSD17B1 ATM 2990/4885CHRNB1 2251/4885CHRNB2 3446/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 ATM 4741/4885CHRNB1 281/4885CHRNB2 757/4885
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 ATM 3381/4885CHRNB1 199/4885CHRNB2 334/4885
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 ATM 3381/4885CHRNB1 199/4885CHRNB2 334/4885

“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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