SCHEMBL17540971

SCHEMBL17540971

COC(=O)c1cc(C)ncc1N

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ GAA P10253 5/20 0.53
▸ GLA P06280 2/20 0.53
▸ HPGD P15428 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ UHRF1 Q96T88 1/20 0.47
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CFTR P13569 5/20 0.46
▸ ABL1 P00519 1/20 0.45
▸ NQO2 P16083 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL10330645 0.86 KDM4E (0.51) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL26115003 0.83 KDM4E (0.45) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL17490653 0.81 KDM4E (0.44) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL22275181 0.81 KDM4E (0.49) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL15359911 0.81 KDM4E (0.54) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL21232045 0.81 KDM4E (0.51) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL22674555 0.81 KDM4E (0.51) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL30763395 0.81 KDM4E (0.51) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL3714762 0.81 KDM4E (0.51) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL31582715 0.81 KDM4E (0.54) KDM4EALDH1A1GAAGLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072265-A1 SOMATOSTATIN SUBTYPE RECEPTOR 3 (SSTR3) AGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2025-04-03 — — WO disclosed
WO-2023159155-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) AND USES THEREOF PIVALENT THERAPEUTICS, INC. (US) 2023-08-24 — — WO disclosed
CN-114829362-A Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatom and used as SHP2 inhibitor 成都倍特药业股份有限公司 2022-07-29 — — CN disclosed
WO-2021115286-A1 SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR 成都倍特药业股份有限公司 2021-06-17 — — WO disclosed
WO-2021115286-A1 SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR 成都倍特药业股份有限公司 2021-06-17 — — WO disclosed
EP-3185865-B1 TETRAHYDRONAPTHTYRIDINE DERIVATIVES AS MGLUR2 NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE. MERCK SHARP & DOHME (US) 2020-07-15 — — EP disclosed
US-10072003-B2 Tetrahydronaphthyridine derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. 2018-09-11 — — US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 — — US disclosed
EP-3185865-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2017-07-05 — — EP disclosed
WO-2016032921-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-03 — — WO disclosed
WO-2016029454-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-03 — — WO 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-10072003-B2 Tetrahydronaphthyridine derivatives as mGluR2-negative allosteric modulators, compositions, and their use GRIN2A, GRIN2C, GRIN2B KDM4E 1901/4885ALDH1A1 4527/4885GAA 3708/4885
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIN2C, GRIN2B KDM4E 1901/4885ALDH1A1 4527/4885GAA 3708/4885

“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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