SCHEMBL972357

SCHEMBL972357

N#Cc1cccnc1[C]=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.42
HPGD P15428 5/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ELANE P08246 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
PLCG1 P19174 1/20 0.38
KDM4E B2RXH2 3/20 0.38
SLC40A1 Q9NP59 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 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
SCHEMBL18611 0.85 LRRK2 (0.46) LRRK2HPGDALDH1A1SMN1; SMN2ELANE
SCHEMBL29533314 0.85 LRRK2 (0.46) LRRK2HPGDALDH1A1SMN1; SMN2ELANE
SCHEMBL6385617 0.85 TDP1 (0.33) ALDH1A1SMN1; SMN2CYP3A4CYP2D6PLCG1
SCHEMBL3248902 0.83 PLCG1 (0.41) LRRK2HPGDALDH1A1SMN1; SMN2ELANE
SCHEMBL12754871 0.79 GRM5 (0.46) LRRK2HPGDALDH1A1SMN1; SMN2ELANE
Cyclohexane SCHEMBL507539 0.75 GRM5 (0.43) LRRK2HPGDALDH1A1SMN1; SMN2ELANE
Pyrrole SCHEMBL28114401 0.75 LRRK2 (0.42) LRRK2HPGDALDH1A1SMN1; SMN2CYP1A2
SCHEMBL29489584 0.74
SCHEMBL647575 0.74
SCHEMBL155110 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2842944-B1 METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND NIPPON SODA CO (JP) 2017-03-15 EP disclosed
EP-2557078-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NIPPON SODA CO (JP) 2016-03-23 EP disclosed
EP-2730561-B1 Methods to prepare haloalkyl nitrogen-containing heterocyclic compounds NIPPON SODA CO (JP) 2015-10-14 EP disclosed
EP-2736907-B1 INDAZOLES PFIZER LTD (GB) 2015-10-07 EP disclosed
US-8981107-B2 Nitrogen-containing heterocyclic compound and method for producing same NIPPON SODA CO., LTD. (JP) 2015-03-17 US disclosed
EP-2842944-A1 Method for producing nitrogen-containing heterocyclic compound NIPPON SODA CO., LTD. (JP) 2015-03-04 EP disclosed
US-8962849-B2 Nitrogen-containing heterocyclic compound and method for producing same NIPPON SODA CO., LTD. (JP) 2015-02-24 US disclosed
US-8962850-B2 Nitrogen-containing heterocyclic compound and method for producing same NIPPON SODA CO., LTD. (JP) 2015-02-24 US disclosed
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
US-8895544-B2 Indazoles PFIZER LIMITED (GB) 2014-11-25 US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US disclosed
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-19 US disclosed
EP-1951678-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-06 EP disclosed
EP-1945220-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-23 EP disclosed
WO-2008004698-A2 PYRAZOLO [1, 5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-01-10 WO disclosed
WO-2007046548-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 WO disclosed
WO-2007046550-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 WO disclosed
US-5654322-A HYPOTENSIVE AGENTS, CEREBRAL APOPLEXY WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-05 US disclosed
EP-0656355-A1 BIPHENYLMETHANE DERIVATIVE AND MEDICINE CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-06-07 EP disclosed
US-3941781-A Preparation of 3-alkylthiomethyl cephalosporins ELI LILLY AND COMPANY (US) 1976-03-02 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 (2 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-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds RECQL, QTRT1, DPYD LRRK2 2121/4885HPGD 1170/4885ALDH1A1 467/4885
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity CNR1, CNR2, OPRD1 LRRK2 2645/4885HPGD 2035/4885ALDH1A1 1631/4885

“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.