SCHEMBL7215518

SCHEMBL7215518

Cc1cnc(C)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.42
CHRNB4 P30926 4/20 0.42
CHRNA3 P32297 4/20 0.42
CHRNA4 P43681 4/20 0.42
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
OPRK1 P41145 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL7219736 0.84 CYP11B1 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4CYP11B1
SCHEMBL22066216 0.80 HTT (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CYP11B1
SCHEMBL21928132 0.80 CYP11B1 (0.38) CYP11B1CYP11B2CCR1CCR5CCR8
SCHEMBL10177952 0.78 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4CYP11B1
SCHEMBL3651726 0.78 NOS3 (0.39) CYP11B1CYP11B2CCR1CCR5CCR8
SCHEMBL13082590 0.78 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4CYP11B1
SCHEMBL21604785 0.78 KDM4E (0.40) CHRNB2CHRNB4CHRNA3CHRNA4CYP11B1
SCHEMBL286883 0.78 ALDH1A1 (0.53) CYP11B1CYP11B2CCR1CCR5CCR8
SCHEMBL11184837 0.78 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4CYP11B1
SCHEMBL625135 0.78 NOS3 (0.54) CYP11B1CYP11B2NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-28 US disclosed
EP-3458452-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION BUGWORKS RES INC (US) 2023-08-30 EP disclosed
US-20230242507-A1 INDAZOLE-FUSED CYCLIC COMPOUND Zhejiang Yangli Pharmaceutical Technology Co., Ltd. (CN) 2023-08-03 US disclosed
WO-2023028338-A2 MANNOSE 6-PHOSPHATE OR ASGPR RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2023-03-02 WO disclosed
WO-2021115375-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF 四川海思科制药有限公司 2021-06-17 WO disclosed
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 WO disclosed
WO-2019243964-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
EP-3560937-A1 18F-LABELED PSMA-TARGETED PET IMAGING AGENTS Cancer Targeted Technology LLC (US) 2019-10-30 EP disclosed
US-9951020-B2 Methods of making 2-halonicotinonitriles VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-04-24 US disclosed
WO-2017199265-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION BUGWORKS RESEARCH INDIA PVT LTD (IN) 2017-11-23 WO disclosed
US-20160221951-A1 METHODS OF MAKING 2-HALONICOTINONITRILES VIRGINIA COMMONWEALTH UNIVERSITY 2016-08-04 US disclosed
US-9334274-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-05-10 US disclosed
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2014-08-07 US disclosed
US-8716303-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2014-05-06 US disclosed
US-20120316176-A1 DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b] PURIN-4(5H)-ONE and METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-12-13 US disclosed
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 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 (5 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-20120316176-A1 DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b] PURIN-4(5H)-ONE and METHODS OF USE THEREOF P2RX7, P2RX4, P2RX3 CHRNB2 1731/4885CHRNB4 1059/4885CHRNA3 2142/4885
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF CYP4Z1, DDT, AADAC CHRNB2 4116/4885CHRNB4 4103/4885CHRNA3 4272/4885
US-20230242507-A1 INDAZOLE-FUSED CYCLIC COMPOUND SLC5A11, CYP11B2, CYP4F11 CHRNB2 4522/4885CHRNB4 4674/4885CHRNA3 4090/4885
US-20160221951-A1 METHODS OF MAKING 2-HALONICOTINONITRILES NISCH, HCN2, HCN1 CHRNB2 1137/4885CHRNB4 1352/4885CHRNA3 2676/4885
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CHRNB2 4779/4885CHRNB4 4817/4885CHRNA3 4456/4885

“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.