SCHEMBL4475478

SCHEMBL4475478

CNc1ncccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.54
ASIC3 Q9UHC3 1/20 0.54
KDR P35968 1/20 0.48
ALDH1A1 P00352 6/20 0.47
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
HSD17B10 Q99714 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GFER P55789 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PLAU P00749 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
CYP2D6 P10635 3/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 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
Hydrochloric Acid SCHEMBL28720176 0.98 GRM5 (0.53) GRM5ASIC3KDRALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL28723284 0.98 GRM5 (0.53) GRM5ASIC3KDRALDH1A1CYP1A2
SCHEMBL1534417 0.82 GRM5 (0.53) GRM5ASIC3KDRALDH1A1TDP1
SCHEMBL22593337 0.82 GRM5 (0.53) GRM5ASIC3KDRALDH1A1CYP1A2
SCHEMBL13562935 0.79 TRPM8 (0.52) GRM5ASIC3KDRMEN1KMT2A
SCHEMBL26575932 0.79 PGK1 (0.50) GRM5ASIC3KDRALDH1A1HSD17B10
SCHEMBL8486083 0.78 GRM5 (0.47) GRM5ASIC3KDRALDH1A1CYP1A2
SCHEMBL6384911 0.78 KDM4E (0.47) GRM5ASIC3ALDH1A1HSD17B10MEN1
SCHEMBL25045421 0.77 GRM5 (0.49) GRM5ASIC3KDRALDH1A1MEN1
SCHEMBL9072471 0.77 GCK (0.56) GRM5KDRALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118974057-A KLF2 inducers and methods of use thereof 里帕里安制药股份有限公司 2024-11-15 CN disclosed
CN-113072551-B Nitrogen-containing biphenyl derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-13 CN disclosed
EP-4337326-A1 PYRIDINE DERIVATIVES WITH N-LINKED CYCLIC SUBSTITUENTS AS CGAS INHIBITORS Boehringer Ingelheim International GmbH (DE) 2024-03-20 EP disclosed
CN-117321050-A Modified inhibitors of membrane iron transport proteins 威佛(国际)股份公司 2023-12-29 CN disclosed
CN-113348170-B Biphenyl derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-22 CN disclosed
CN-113717161-B Nitrogen-containing saturated heterocyclic compound, preparation method thereof, pharmaceutical composition and application 广州费米子科技有限责任公司 2023-06-09 CN disclosed
WO-2022238327-A1 PYRIDINE DERIVATIVES WITH N-LINKED CYCLIC SUBSTITUENTS AS CGAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-11-17 WO disclosed
CN-112313234-B Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2022-04-29 CN disclosed
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-10 US disclosed
CN-113717161-A Nitrogen-containing saturated heterocyclic compound and preparation method, pharmaceutical composition and application thereof 广州费米子科技有限责任公司 2021-11-30 CN disclosed
WO-2013083556-A1 5-(3-AMINOPHENYL)-5-ALKYL-5,6-DIHYDRO-2H-[1,4]OXAZIN-3-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-06-13 WO disclosed
CN-102574845-A 1h-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG 2012-07-11 CN disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
EP-1824850-A2 SUBSTITUTED IMIDAZO[4,5-b]PYRIDINES AS INHIBITORS OF GASTRIC ACID SECRETION Nycomed GmbH (DE) 2007-08-29 EP disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006119820-A1 AGENTS FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-11-16 WO disclosed
WO-2006061380-A2 SUBSTITUTED IMIDAZO[4,5-b]PYRIDINES AS INHIBITORS OF GASTRIC ACID SECRETION ALTANA PHARMA AG (DE) 2006-06-15 WO disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 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 (3 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH GRM5 3582/4885ASIC3 4662/4885KDR 2286/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH GRM5 3582/4885ASIC3 4662/4885KDR 2286/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 GRM5 3233/4885ASIC3 2914/4885KDR 2300/4885

“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.