SCHEMBL3084745

SCHEMBL3084745

O=c1nc[nH]c2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.53
KMT2A Q03164 1/20 0.49
PARP1 P09874 2/20 0.47
AURKA O14965 1/20 0.47
GPR84 Q9NQS5 1/20 0.47
LRRK2 Q5S007 1/20 0.44
MAP2K1 Q02750 1/20 0.44
MET P08581 2/20 0.42
FEN1 P39748 1/20 0.42
PDPK1 O15530 2/20 0.41
CA12 O43570 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA9 Q16790 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
CAMKK2 Q96RR4 2/20 0.41
ADORA2A P29274 2/20 0.40
TGFBR1 P36897 1/20 0.40
IKBKE Q14164 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL6837819 0.76 AXL (0.48) AXLKMT2APARP1AURKAGPR84
SCHEMBL1566406 0.72 AXL (0.53) AXLKMT2APARP1AURKAGPR84
SCHEMBL30421286 0.72 AXL (0.53) AXLKMT2APARP1AURKAGPR84
Quinazolinone SCHEMBL10418 0.71 PARP1 (0.48) KMT2APARP1AURKAGPR84LRRK2
Hydrochloric Acid SCHEMBL29744480 0.71 AXL (0.52) AXLKMT2APARP1AURKAGPR84
SCHEMBL29431626 0.70
SCHEMBL10759 0.70
Quinazolinone SCHEMBL7746268 0.69 PARP1 (0.47) KMT2APARP1AURKAGPR84LRRK2
SCHEMBL410624 0.69 AXL (1.00) AXLKMT2AGPR84LRRK2MAP2K1
SCHEMBL29655460 0.69 AXL (1.00) AXLKMT2AGPR84LRRK2MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP claimed
EP-0180834-B1 4-Alkoxypyrido[2,3-d]pyrimidine derivatives, process for their preparation and medicaments containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1989-08-30 EP claimed
EP-0180833-B1 4-Oxo-pyrido-[2,3-d]pyrimidine derivatives, process for their preparation and medicaments containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1989-07-19 EP claimed
US-12152051-B2 Cyclic dinucleotide analogue, pharmaceutical composition thereof, and application Shanghai De Novo Pharmatech Co., Ltd. (CN) 2024-11-26 US disclosed
US-20220274927-A1 MEMBRANE-ACTIVE ANTI-BACTERIAL COMPOUNDS AND USES THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2022-09-01 US disclosed
EP-3854799-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 EP disclosed
EP-3544979-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-10-02 EP disclosed
WO-2018096159-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-05-31 WO disclosed
US-9957267-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2018-05-01 US disclosed
US-9630962-B2 4-amino-6-(2,6-dichlorophenyl)-2-(phenylamino)-pyrido[2,3-d]pyrimidin-7(8H)-one derivatives, synthesis and uses thereof HOSPITAL CLINIC DE BARCELONA (ES) 2017-04-25 US disclosed
EP-3008063-B1 4-AMINO-6-(2,6-DICHLOROPHENYL)-2-(PHENYLAMINO)-PYRIDO(2,3-D)PYRIMIDIN-7(8H)-ONE DERIVATIVES, SYNTHESIS AND USES THEREOF INST QUÍMIC DE SARRIÁ CETS FUNDACIÓ PRIVADA (ES) 2017-04-19 EP disclosed
EP-0180833-B1 4-Oxo-pyrido-[2,3-d]pyrimidine derivatives, process for their preparation and medicaments containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1989-07-19 EP disclosed
US-4762837-A CARDIOVASCULAR DISORDERS GODECKE AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
CN-85107634-B process for producing 4-oxo-pyrido (2,3-d) pyrimidine derivative 歌德克股份公司 1988-07-06 CN disclosed
US-4681882-A TREATMENT OF VASCULAR DISEASES GODECKE AKTIENGESELLSCHAFT (DE) 1987-07-21 US disclosed
US-4677108-A CARDIOVASCULAR DISEASES WARNER-LAMBERT COMPANY (US) 1987-06-30 US disclosed
US-4677108-A CARDIOVASCULAR DISEASES WARNER-LAMBERT COMPANY (US) 1987-06-30 US disclosed
EP-0180833-A1 4-Oxo-pyrido-[2,3-d]pyrimidine derivatives, process for their preparation and medicaments containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1986-05-14 EP disclosed
EP-0180834-A1 4-Alkoxypyrido[2,3-d]pyrimidine derivatives, process for their preparation and medicaments containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1986-05-14 EP disclosed
US-4009166-A ANTIINFLAMMATORY AGENTS, ANALGESICS, CNS DEPRESSANTS HISAMITSU PHARMACEUTICAL CO., INC. (JA) 1977-02-22 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-12152051-B2 Cyclic dinucleotide analogue, pharmaceutical composition thereof, and application STING1, CGAS, IRF3 AXL 3907/4885KMT2A 3533/4885PARP1 636/4885
US-20220274927-A1 MEMBRANE-ACTIVE ANTI-BACTERIAL COMPOUNDS AND USES THEREOF LPO, EPCAM, ANTXR2 AXL 2951/4885KMT2A 3062/4885PARP1 2903/4885

“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.