SCHEMBL401836

SCHEMBL401836

C(#Cc1cccnc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.64
CYP2A6 P11509 6/20 0.60
CYP2C9 P11712 3/20 0.59
CYP2B6 P20813 3/20 0.59
CYP2C19 P33261 3/20 0.59
CYP2D6 P10635 3/20 0.59
CYP2E1 P05181 2/20 0.59
CYP3A4 P08684 2/20 0.59
FFAR1 O14842 1/20 0.57
APP P05067 1/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C8 P10632 1/20 0.57
CHRNB2 P17787 2/20 0.55
CHRNA4 P43681 2/20 0.55
PIK3CA P42336 1/20 0.54
PDK1 Q15118 1/20 0.54

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
SCHEMBL31673222 1.00 GRM5 (0.64) GRM5CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL13907278 0.93 CYP2A6 (0.62) GRM5CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL3796332 0.93 CYP2A6 (0.67) GRM5CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL31673242 0.88 CYP2A6 (0.58) GRM5CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL13907279 0.83 PIK3CA (0.57) GRM5CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL3835779 0.83 CYP11B2 (0.61) GRM5CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL4750576 0.83 CYP2A6 (0.53) GRM5CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL21858038 0.83 CYP2A6 (0.53) GRM5CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL3837868 0.83 CYP2A6 (0.53) GRM5CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL1479142 0.83 CYP2A6 (0.53) GRM5CYP2A6CYP2C9CYP2B6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1729771-B1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-14 EP claimed
EP-4570317-A2 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE Intervet International B.V. (NL) 2025-06-18 EP disclosed
US-12227485-B2 Compounds useful for the treatment of infection with Mannheimia haemolytica or Histophilus somni INTERVET INC. (US) 2025-02-18 US disclosed
US-12157717-B2 Compounds for the treatment of bovine or swine respiratory disease INTERVET INC. (US) 2024-12-03 US disclosed
US-12077488-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection INTERVET INC. (US) 2024-09-03 US disclosed
US-20240002415-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2024-01-04 US disclosed
US-11780861-B2 Phosphine reagents for azine fluoroalkylation COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2023-10-10 US disclosed
EP-4232025-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2023-08-30 EP disclosed
EP-3600286-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PARASITIC DISEASES BROAD INST INC (US) 2023-08-16 EP disclosed
CN-116425607-A Method for preparing cis-form or trans-form alkene by chromium-catalyzed intermediate alkyne selective hydrogenation 四川大学 2023-07-14 CN disclosed
WO-2004018455-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-03-04 WO disclosed
WO-2003094830-A2 NOVEL AZACYCLIC ETHYNYL DERIVATIVES NEUROSEARCH A/S (DK) 2003-11-20 WO disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 WO disclosed
EP-0508469-B1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1999-03-03 EP disclosed
US-5493024-A 1,2-DIARYL-2-PROPEN-1-ONE CHEMICAL INTERMEDIATE COMPOUND DOWELANCO (US) 1996-02-20 US disclosed
US-5374701-A Crosslinkable polymers of high strength free of structural defects HAY ALLAN S (CA) 1994-12-20 US disclosed
US-5250532-A Moths. termites DOWELANCO (US) 1993-10-05 US disclosed
US-5233046-A DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALLAN S (CA) 1993-08-03 US disclosed
WO-1993009079-A1 DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALAN S (CA) 1993-05-13 WO disclosed
EP-0508469-A1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1992-10-14 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-12077488-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection SORD, HEXD, SNRPD1 GRM5 2808/4885CYP2A6 1800/4885CYP2C9 2997/4885
US-12227485-B2 Compounds useful for the treatment of infection with Mannheimia haemolytica or Histophilus somni SORD, HEXD, SNRPD1 GRM5 2971/4885CYP2A6 1800/4885CYP2C9 2317/4885
US-12157717-B2 Compounds for the treatment of bovine or swine respiratory disease PIGS, BTD, PPARD GRM5 2335/4885CYP2A6 1136/4885CYP2C9 2216/4885
US-20240002415-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION PTPN3, PHOSPHO1, SKIC3 GRM5 737/4885CYP2A6 3483/4885CYP2C9 2790/4885
US-11780861-B2 Phosphine reagents for azine fluoroalkylation PTPN3, PHOSPHO1, SKIC3 GRM5 737/4885CYP2A6 3483/4885CYP2C9 2790/4885

“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.