SCHEMBL1924984

SCHEMBL1924984

COc1ccc(C(=N)N)cn1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 3/20 0.68
▸ MKNK1 Q9BUB5 1/20 0.56
▸ MKNK2 Q9HBH9 1/20 0.56
▸ PRSS1 P07477 7/20 0.52
▸ PRSS2 P07478 3/20 0.52
▸ PRSS3 P35030 3/20 0.52
▸ FURIN P09958 1/20 0.49
▸ UBE2T Q9NPD8 2/20 0.45
▸ PTGIR P43119 1/20 0.43
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.42

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
Hydrochloric Acid SCHEMBL23906967 0.98 NNMT (0.66) NNMTMKNK1MKNK2PRSS1PRSS2
Hydrochloric Acid SCHEMBL31152512 0.98 NNMT (0.66) NNMTMKNK1MKNK2PRSS1PRSS2
SCHEMBL513126 0.81 NNMT (0.68) NNMTMKNK1MKNK2SIRT6
SCHEMBL29975550 0.81 NNMT (1.00) NNMTMKNK1MKNK2OPRM1OPRD1
SCHEMBL71905 0.81 NNMT (1.00) NNMTMKNK1MKNK2OPRM1OPRD1
SCHEMBL17984748 0.80 FURIN (0.46) NNMTPRSS1PRSS2PRSS3FURIN
Hydrochloric Acid SCHEMBL6234386 0.79 NNMT (0.96) NNMTMKNK1MKNK2OPRM1OPRD1
Hydrochloric Acid SCHEMBL5013391 0.79 NNMT (0.96) NNMTMKNK1MKNK2OPRM1OPRD1
Hydrochloric Acid SCHEMBL2079102 0.79 NNMT (0.66) NNMTMKNK1MKNK2SIRT6
SCHEMBL25404032 0.79 FURIN (0.48) NNMTPRSS1PRSS2PRSS3FURIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023135057-A1 BICYCLIC TRIAZINE DERIVATIVES FOR THE TREATMENT OF CANCER DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2023-07-20 — — WO disclosed
US-9174980-B2 Heterocyclic compounds as inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-03 — — US disclosed
US-9174980-B2 Heterocyclic compounds as inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-03 — — US disclosed
WO-2013116182-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 — — WO disclosed
US-20130196967-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 — — US disclosed
US-20130196967-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 — — US disclosed
EP-1874777-B1 1H-PYRIMIDO[4,5-B]INDOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE SANOFI AVENTIS (FR) 2011-06-08 — — EP disclosed
US-20090215741-A1 1H-Pyrimido[4,5-b]indole Derivatives, Their Preparation and Therapeutic Use SANOFI-AVENTIS (FR) 2009-08-27 — — US disclosed
US-7547706-B2 1H-pyrimido[4,5-b]indole derivatives, their preparation and therapeutic use SANOFI-AVENTIS (FR) 2009-06-16 — — US disclosed
US-20080125410-A1 7-chloro-N,N-9-trimethyl-2-(6-methylpyridin-3-yl)-9H-pyrimido[4,5-b]indole-4-carboxamide; ethyl 7-chloro-9-methyl-2-phenyl-9H-pyrimido[4,5-b]indole-4-carboxylate; 4-[(4-azetidin-1-yl)piperidin-1-ylcarbonyl]-7-chloro-9-methyl-2-phenyl-9H-pyrimido-[4,5-b]indole; Alzheimer's or Parkinson's disease SANOFI-AVENTIS (FR) 2008-05-29 — — US disclosed
EP-1874777-A1 H-PYRIMIDO[4,5-B]INDOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE Sanofi-Aventis (FR) 2008-01-09 — — EP disclosed
WO-2006111648-A1 H-PYRIMIDO[4,5-B]INDOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE SANOFI-AVENTIS (FR) 2006-10-26 — — WO disclosed
EP-0915879-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-05-19 — — EP disclosed
WO-1998001449-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-01-15 — — 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-20130196967-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 NNMT 1952/4885MKNK1 4569/4885MKNK2 4294/4885
US-20090215741-A1 1H-Pyrimido[4,5-b]indole Derivatives, Their Preparation and Therapeutic Use IDO1, IDO2, TPH1 NNMT 455/4885MKNK1 3258/4885MKNK2 2463/4885
US-20080125410-A1 7-chloro-N,N-9-trimethyl-2-(6-methylpyridin-3-yl)-9H-pyrimido[4,5-b]indole-4-carboxamide; ethyl 7-chloro-9-methyl-2-phenyl-9H-pyrimido[4,5-b]indole-4-carboxylate; 4-[(4-azetidin-1-yl)piperidin-1-ylcarbonyl]-7-chloro-9-methyl-2-phenyl-9H-pyrimido-[4,5-b]indole; Alzheimer's or Parkinson's disease PARK7, SNCA, PSEN2 NNMT 200/4885MKNK1 1466/4885MKNK2 917/4885

“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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