SCHEMBL403731

SCHEMBL403731

Nc1ncc(C#Cc2ccccc2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.61
APP P05067 1/20 0.55
MAPT P10636 2/20 0.54
GRM4 Q14833 1/20 0.53
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ADORA2A P29274 1/20 0.44
ADK P55263 1/20 0.42
FFAR1 O14842 1/20 0.42
DHFR P00374 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
SCHEMBL4717539 0.82 APP (0.64) GRM5APPMAPTMEN1KMT2A
SCHEMBL3572562 0.79 MAP4K4 (0.53) GRM5CYP3A4FFAR1
SCHEMBL1642511 0.78 PIK3CA (0.56) GRM5APPMAPTGRM4KDM4E
SCHEMBL13516538 0.77 GRM5 (0.61) GRM5APPMAPTADORA2AADK
SCHEMBL1642973 0.77 GRM5 (0.61) GRM5APPMAPTADORA2AFFAR1
SCHEMBL2520701 0.77 GRM5 (0.62) GRM5APPMAPTGRM4ADORA2A
SCHEMBL17705931 0.77 GRM5 (0.62) GRM5APPKDM4EMEN1NPC1
SCHEMBL1388378 0.77 DHFR (0.54) GRM5APPMAPTGRM4KDM4E
SCHEMBL5250409 0.77 GRM5 (0.37) GRM5MAPTGRM4
SCHEMBL4860070 0.76 GRM5 (1.00) GRM5APPMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-110072844-B Compounds for the treatment of infection by Mannheimia haemolytica or histophilus somni 英特维特国际股份有限公司 2023-06-02 CN disclosed
US-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE INTERVET INC. (US) 2023-01-05 US disclosed
CN-110300578-B Compounds for the treatment of respiratory diseases in cattle or pigs 英特维特国际股份有限公司 2022-12-13 CN disclosed
US-11406617-B2 Compounds for the treatment of bovine or swine respiratory disease INTERVET INC. (US) 2022-08-09 US disclosed
US-20220041547-A1 Compounds Useful for Treating a Mannheimia Haemolytica or Histophilus Somni Infection INTERVET INC. (US) 2022-02-10 US disclosed
US-20210347730-A1 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE INTERVET INC. (US) 2021-11-11 US disclosed
WO-2004092360-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2004-10-28 WO disclosed
WO-2004087153-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2004-10-14 WO disclosed
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2004-09-09 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 WO disclosed
WO-2004060308-A2 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS CHIRON CORPORATION (US) 2004-07-22 WO disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US disclosed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 US disclosed
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2004-04-22 US disclosed
WO-2004018455-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-03-04 WO disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 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 (11 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF GRM5 4435/4885APP 4860/4885MAPT 3948/4885
US-12077488-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection SORD, HEXD, SNRPD1 GRM5 2808/4885APP 2856/4885MAPT 3738/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF GRM5 4467/4885APP 4841/4885MAPT 3981/4885
US-20220041547-A1 Compounds Useful for Treating a Mannheimia Haemolytica or Histophilus Somni Infection SORD, HEXD, SNRPD1 GRM5 2808/4885APP 2856/4885MAPT 3738/4885
US-20210347730-A1 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE PIGS, BTD, PPARD GRM5 2335/4885APP 4006/4885MAPT 2194/4885
US-12227485-B2 Compounds useful for the treatment of infection with Mannheimia haemolytica or Histophilus somni SORD, HEXD, SNRPD1 GRM5 2971/4885APP 3684/4885MAPT 4017/4885
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use PI4KB, PI4KA, PDPK1 GRM5 3838/4885APP 4542/4885MAPT 1941/4885
US-11406617-B2 Compounds for the treatment of bovine or swine respiratory disease PIGS, BTD, PPARD GRM5 2237/4885APP 4221/4885MAPT 2161/4885
US-12157717-B2 Compounds for the treatment of bovine or swine respiratory disease PIGS, BTD, PPARD GRM5 2335/4885APP 4006/4885MAPT 2194/4885
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GRM5 1435/4885APP 232/4885MAPT 156/4885
US-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE PIGS, BTD, BRD1 GRM5 2104/4885APP 4045/4885MAPT 1823/4885

“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.