SCHEMBL8417453

SCHEMBL8417453

CC1CCCc2cnccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.50
▸ CHRNA4 P43681 3/20 0.50
▸ SIGMAR1 Q99720 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ KDM5A P29375 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM5B Q9UGL1 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
SCHEMBL12256567 1.00 CHRNB2 (0.50) CHRNB2CHRNA4SIGMAR1HRH3IDO1
SCHEMBL12891523 1.00 CHRNB2 (0.50) CHRNB2CHRNA4SIGMAR1HRH3IDO1
SCHEMBL10297727 0.89 SIGMAR1 (0.42) CHRNB2CHRNA4SIGMAR1IDO1TDO2
SCHEMBL10297733 0.85 CHRNB2 (0.63) CHRNB2CHRNA4SIGMAR1HRH3CHRNA7
SCHEMBL12891530 0.85 CHRNB2 (0.63) CHRNB2CHRNA4SIGMAR1HRH3CHRNA7
SCHEMBL12891531 0.85 CHRNB2 (0.63) CHRNB2CHRNA4SIGMAR1HRH3CHRNA7
SCHEMBL23022287 0.78 SIGMAR1 (0.48) CHRNB2CHRNA4SIGMAR1IDO1TDO2
SCHEMBL5051446 0.78 SIGMAR1 (0.48) CHRNB2CHRNA4SIGMAR1IDO1TDO2
SCHEMBL2809491 0.78 SIGMAR1 (0.48) CHRNB2CHRNA4SIGMAR1IDO1TDO2
SCHEMBL14258586 0.78 SIGMAR1 (0.48) CHRNB2CHRNA4SIGMAR1IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024085661-A1 NOVEL TRIHETEROCYCLIC COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2024-04-25 — — WO disclosed
US-9079890-B2 Intermediates for the preparation of pyridin-2-yl-amino-1,2,4-thiadiazole derivatives ARRAY BIOPHARMA INC. (US) 2015-07-14 — — US disclosed
US-20150057448-A1 INTERMEDIATES FOR THE PREPARATION OF PYRIDIN-2-YL-AMINO-1,2,4-THIADIAZOLE DERIVATIVES ARRAY BIOPHARMA, INC. 2015-02-26 — — US disclosed
US-8853409-B2 Pyridin-2yl-amino-1, 2, 4-thiadiazole derivatives as glucokinase activators for the treatment of diabetes mellitus ARRAY BIOPHARMA INC. (US) 2014-10-07 — — US disclosed
US-20120277242-A1 Pyridin-2YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus ARRAY BIOPHARMA, INC. (US) 2012-11-01 — — US disclosed
US-8212045-B2 Pyridin-2-yl-amino-1, 2, 4-thiadiazole derivatives as glucokinase activators for the treatment of diabetes mellitus ARRAY BIOPHARMA, INC. (US) 2012-07-03 — — US disclosed
US-7868020-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2011-01-11 — — US disclosed
US-20100249098-A1 OXYPIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-09-30 — — US disclosed
US-20100249098-A1 OXYPIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-09-30 — — US disclosed
US-20100204240-A1 Pyridin-2-YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus ARRAY BIOPHARMA INC. (US) 2010-08-12 — — US disclosed
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 — — US disclosed
US-20100113516-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-05-06 — — US disclosed
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPPHARMA INC. (US) 2010-04-29 — — US disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 — — US disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 — — US disclosed
WO-2008088936-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-24 — — WO disclosed
US-20070161578-A1 Treatment of nonalcoholic fatty liver disease using cholesterol lowering agents and/or H3 receptor antagonist/inverse agonist SCHERING CORPORATION 2007-07-12 — — US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 — — US disclosed
US-7220735-B2 Benzimidazolone histamine H3 antagonists SCHERING CORPORATION (US) 2007-05-22 — — 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 (10 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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R CHRNB2 483/4885CHRNA4 120/4885SIGMAR1 238/4885
US-20100249098-A1 OXYPIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF OPRK1, GPR119, OPRD1 CHRNB2 926/4885CHRNA4 241/4885SIGMAR1 114/4885
US-20120277242-A1 Pyridin-2YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus PDXK, GCKR, GCK CHRNB2 3742/4885CHRNA4 3318/4885SIGMAR1 4744/4885
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 CHRNB2 2910/4885CHRNA4 2805/4885SIGMAR1 4550/4885
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 CHRNB2 1568/4885CHRNA4 1004/4885SIGMAR1 957/4885
US-20100113516-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS TUBB3, TUBB1, NQO2 CHRNB2 2740/4885CHRNA4 2207/4885SIGMAR1 903/4885
US-20150057448-A1 INTERMEDIATES FOR THE PREPARATION OF PYRIDIN-2-YL-AMINO-1,2,4-THIADIAZOLE DERIVATIVES PDXK, IL4I1, CDK2 CHRNB2 1562/4885CHRNA4 1626/4885SIGMAR1 4298/4885
US-20070161578-A1 Treatment of nonalcoholic fatty liver disease using cholesterol lowering agents and/or H3 receptor antagonist/inverse agonist NR1H4, NR1H3, NR1H2 CHRNB2 387/4885CHRNA4 222/4885SIGMAR1 151/4885
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GK, GCK CHRNB2 3744/4885CHRNA4 3128/4885SIGMAR1 2327/4885
US-20100204240-A1 Pyridin-2-YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus PDXK, GCKR, GCK CHRNB2 3747/4885CHRNA4 3434/4885SIGMAR1 4721/4885

“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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