Sugi Predict

Sugi Predict / Compounds / SCHEMBL302446

SCHEMBL302446

SCHEMBL302446

NC(=O)c1ccccc1-n1ccnn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 4/20 0.46
▸ HCRTR2 O43614 2/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ NOTUM Q6P988 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PARP1 P09874 2/20 0.40
▸ METAP2 P50579 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ PARP3 Q9Y6F1 1/20 0.37
▸ BCAT2 O15382 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL302445 0.86 MAPK9 (0.41) HCRTR1HCRTR2MAPK9MAPK10NPC1
SCHEMBL30005880 0.85 HCRTR1 (0.50) HCRTR1HCRTR2NOTUMKDM4EALDH1A1
SCHEMBL1586766 0.85 HCRTR1 (0.50) HCRTR1HCRTR2NOTUMKDM4EALDH1A1
SCHEMBL17910087 0.84 HCRTR1 (0.43) HCRTR1HCRTR2MAPK9MAPK10NPC1
SCHEMBL6429867 0.84 MAPK9 (0.41) HCRTR1HCRTR2MAPK9MAPK10NPC1
SCHEMBL29492035 0.83 HCRTR1 (0.41) HCRTR1HCRTR2MAPK9MAPK10NPC1
SCHEMBL4975521 0.83 HCRTR1 (0.41) HCRTR1HCRTR2MAPK9MAPK10NOTUM
SCHEMBL17422568 0.83 HCRTR1 (0.46) HCRTR1HCRTR2MAPK9MAPK10NPC1
SCHEMBL21802451 0.83 ALDH1A1 (0.58) HCRTR1HCRTR2MAPK9MAPK10NPC1
SCHEMBL2754382 0.82 GRM5 (0.43) HCRTR1HCRTR2MAPK9MAPK10KDM4E

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
EP-3131897-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-22 — — EP claimed
WO-2015160636-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-22 — — WO claimed
JP-4850824-B2 — — 2012-01-11 — — JP claimed
EP-1725544-A1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-29 — — EP claimed
WO-2005090333-A1 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 — — WO claimed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 — — EP claimed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 — — WO claimed
CN-1058694-A Contain 1,2, the Herbicidal combinations of 4-triazole-3-formamide and control method for weed with said composition KUREHA CHEMICAL IND CO LTD (JP) 1992-02-19 — — CN claimed
CN-1015455-B Process for producing 1, 2, 4-triazole-3-carboxamide compound KUREHA CHEMICAL IND CO LTD (JP) 1992-02-12 — — CN claimed
CN-86108483-A 1. 2, 4-triazole-3-carboxamide compound, preparation method thereof and herbicidal composition containing same — 1987-09-16 — — CN claimed
EP-4221704-A1 PHARMACEUTICAL FORMULATIONS FOR TREATING DISEASES MEDIATED BY KDM1A Imago Biosciences Inc. (US) 2023-08-09 — — EP disclosed
WO-2022072811-A1 PHARMACEUTICAL FORMULATIONS FOR TREATING DISEASES MEDIATED BY KDM1A IMAGO BIOSCIENCES, INC. (US) 2022-04-07 — — WO disclosed
CN-109336829-B Aryl formamide compound containing 1,2, 3-triazole structure and application thereof 沈阳药科大学 2022-03-01 — — CN disclosed
US-20200255527-A1 METHODS OF TREATING CANCER USING LSD1 INHIBITORS IN COMBINATION WITH IMMUNOTHERAPY PRESIDENT & FELLOWS OF HARVARD COLLEGE 2020-08-13 — — US disclosed
EP-3661510-A1 METHODS OF TREATING BEHAVIOR ALTERATIONS Oryzon Genomics, S.A. (ES) 2020-06-10 — — EP disclosed
CN-1878783-A Process for preparing antiviral nucleoside derivatives ROCHE PALO ALTO LLC (CH) 2006-12-13 — — CN disclosed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 — — EP disclosed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 — — WO disclosed
CN-1058694-A Contain 1,2, the Herbicidal combinations of 4-triazole-3-formamide and control method for weed with said composition KUREHA CHEMICAL IND CO LTD (JP) 1992-02-19 — — CN disclosed
CN-86108483-A 1. 2, 4-triazole-3-carboxamide compound, preparation method thereof and herbicidal composition containing same — 1987-09-16 — — CN 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 (1 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-20200255527-A1 METHODS OF TREATING CANCER USING LSD1 INHIBITORS IN COMBINATION WITH IMMUNOTHERAPY KDM1B, KDM2A, KDM3B HCRTR1 1276/4885HCRTR2 872/4885MAPK9 4072/4885

“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.