SCHEMBL105257

SCHEMBL105257

COc1ccccc1C(N)=NO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CTSD P07339 1/20 0.50
NPC1 O15118 3/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 2/20 0.47
RECQL P46063 1/20 0.47
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.43

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
SCHEMBL105256 1.00 GAA (0.61) GAACA1CA2CA12CA4
SCHEMBL23879961 1.00 GAA (0.61) GAACA1CA2CA12CA4
SCHEMBL21163498 0.83 GAA (0.51) GAACA1CA2CA12CA4
SCHEMBL20513840 0.80 IRAK4 (0.47) GAACA1CA2CA12CA4
SCHEMBL21163687 0.79 IRAK4 (0.64) GAASMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL2789848 0.79 HCRTR1 (0.50) GAALMNAHPGDL3MBTL1MAPT
SCHEMBL2789846 0.79 HCRTR1 (0.50) GAALMNAHPGDL3MBTL1MAPT
SCHEMBL18342611 0.79 LMNA (0.45) GAASMN1; SMN2LMNACTSDMAPT
SCHEMBL18342610 0.79 LMNA (0.45) GAASMN1; SMN2LMNACTSDMAPT
SCHEMBL2949654 0.78 GAA (0.54) GAASMN1; SMN2LMNAHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136301-B2 Broad spectrum antiviral compounds and uses thereof The Regents of the University of California, A California Corporation et al. (US) 2021-10-05 US disclosed
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2019-07-04 US disclosed
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-05-07 US disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20180297963-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS AND USES THEREOF THE UNIVERSITY OF MIAMI 2018-10-18 US disclosed
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
US-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-08-03 US disclosed
EP-1658273-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2006-05-24 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO disclosed
WO-2005019184-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed
WO-2001054507-A1 METHODS FOR KILLING NEMATODES AND NEMATODE EGGS USING OXADIAZOLE AND OXAIMIDAZOLE COMPOUNDS AKKADIX CORPORATION (US) 2001-08-02 WO disclosed
WO-2001054508-A1 MATERIALS AND METHODS FOR KILLING NEMATODES AND NEMATODE EGGS AKKADIX CORPORATION (US) 2001-08-02 WO disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed
WO-2001002375-A1 PROCESS FOR SYNTHESIZING OXADIAZOLES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-01-11 WO disclosed
EP-0438230-B1 Indole-substituted five-membered heteroaromatic compounds MERCK SHARP & DOHME (GB) 1997-04-23 EP disclosed
US-5317103-A Migraine treatment MERCK SHARP & DOHME LIMITED (GB) 1994-05-31 US disclosed
EP-0438230-A2 Indole-substituted five-membered heteroaromatic compounds MERCK SHARP & DOHME LTD. (GB) 1991-07-24 EP 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 (7 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-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 GAA 3943/4885CA1 4844/4885CA2 4646/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 GAA 4335/4885CA1 2595/4885CA2 4263/4885
US-11136301-B2 Broad spectrum antiviral compounds and uses thereof MAVS, EIF2AK2, ZC3HAV1 GAA 120/4885CA1 4846/4885CA2 4819/4885
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them TYMS, TYMP, TPX2 GAA 3943/4885CA1 4844/4885CA2 4646/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 GAA 4335/4885CA1 2595/4885CA2 4263/4885
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 GAA 3943/4885CA1 4844/4885CA2 4646/4885
US-20180297963-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, EIF2AK2, ZC3HAV1 GAA 120/4885CA1 4846/4885CA2 4819/4885

“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.