SCHEMBL1680438

SCHEMBL1680438

N#Cc1cnc2c(c1)CCN2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.64
▸ NNMT P40261 3/20 0.50
▸ ASIC3 Q9UHC3 1/20 0.45
▸ DRD2 P14416 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ PNMT P11086 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ ALOX5AP P20292 2/20 0.36
▸ FEN1 P39748 2/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ CYP11B1 P15538 3/20 0.35
▸ CYP11B2 P19099 3/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ADORA2A P29274 1/20 0.33

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
SCHEMBL31014525 0.84 GRM5 (0.62) GRM5NNMTASIC3DRD2PIK3C3
SCHEMBL12700795 0.84 GRM5 (0.62) GRM5NNMTASIC3DRD2PIK3C3
SCHEMBL30585948 0.76 HTT (0.39) GRM5NNMTHTTKDM4EALDH1A1
SCHEMBL14376061 0.74 GRM5 (0.67) GRM5HTTALOX5APFEN1ALDH1A1
SCHEMBL19228501 0.74 CRBN (0.40) GRM5NNMTCYP11B1CYP11B2CYP19A1
SCHEMBL1723715 0.73 NNMT (0.53) GRM5NNMTASIC3PIK3C3ALOX5AP
SCHEMBL13538508 0.73 NNMT (0.53) GRM5NNMTASIC3PIK3C3ALOX5AP
SCHEMBL21573715 0.73 NNMT (0.57) GRM5NNMTASIC3DRD2PIK3C3
SCHEMBL13154323 0.73 NNMT (0.57) GRM5NNMTASIC3PIK3C3ALOX5AP
SCHEMBL13004722 0.73 NNMT (0.53) GRM5NNMTASIC3PIK3C3ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260042747-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF ALIVEXIS, INC. (JP) 2026-02-12 — — US disclosed
EP-4565575-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Alivexis, Inc. (JP) 2025-06-11 — — EP disclosed
CN-119866333-A KIT inhibitors, compounds, pharmaceutical compositions, and methods of use thereof 亚力维克希斯股份有限公司 2025-04-22 — — CN disclosed
CN-113631557-B JAK kinase inhibitor, preparation method thereof and application thereof in medicine field 上海华汇拓医药科技有限公司 2024-03-15 — — CN disclosed
WO-2024029489-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MODULUS DISCOVERY, INC. (JP) 2024-02-08 — — WO disclosed
WO-2024029489-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MODULUS DISCOVERY, INC. (JP) 2024-02-08 — — WO disclosed
CN-117157298-A Dual-function chimeric heterocyclic compound of interleukin-1 receptor related kinase 4, preparation method, medicinal composition and application thereof 石药集团中奇制药技术(石家庄)有限公司 2023-12-01 — — CN disclosed
WO-2023186069-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2023-10-05 — — WO disclosed
US-20170247370-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. 2017-08-31 — — US disclosed
US-20120309756-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC 2012-12-06 — — US disclosed
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 — — US disclosed
US-6376499-B1 PIPERAZINE-AMIDE COMPOUND WITH ANTICOAGULANT ACTIVITY MERCK & CO., INC. 2002-04-23 — — US disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 — — EP disclosed
EP-1187616-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2002-03-20 — — EP disclosed
EP-1124823-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 — — EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 — — EP disclosed
US-6239132-B1 PREVENTING CORONARY ARTERY DISEASE, INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, INHIBITING THROMBUS FORMATION, AND INHIBITING EMBOLUS FORMATION IN A MAMMAL, MERCK & CO., INC. 2001-05-29 — — US disclosed
WO-2000064449-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-11-02 — — WO disclosed
WO-2000026210-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 — — WO disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 — — 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 (3 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-20170247370-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 GRM5 2040/4885NNMT 343/4885ASIC3 3567/4885
US-20120309756-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 GRM5 2040/4885NNMT 343/4885ASIC3 3567/4885
US-20260042747-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KIT, LTK, HRH3 GRM5 1831/4885NNMT 1840/4885ASIC3 2403/4885

“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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