SCHEMBL2223329

SCHEMBL2223329

O=C(O)c1cccc2ccncc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.60
NR4A2 P43354 1/20 0.60
NR4A3 Q92570 1/20 0.60
TNF P01375 1/20 0.51
STING1 Q86WV6 1/20 0.49
CDC25B P30305 1/20 0.49
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
PTPN1 P18031 1/20 0.47
KDM4E B2RXH2 3/20 0.47
KDM4C Q9H3R0 2/20 0.47
MEN1 O00255 1/20 0.47
KDM6B O15054 1/20 0.47
KDM4A O75164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL31522172 1.00 NR4A1 (0.60) NR4A1NR4A2NR4A3TNFSTING1
SCHEMBL30771576 0.98 NR4A1 (0.58) NR4A1NR4A2NR4A3TNFSTING1
Hydrochloric Acid SCHEMBL29816682 0.98 NR4A1 (0.58) NR4A1NR4A2NR4A3TNFSTING1
SCHEMBL28135495 0.88 MAPK8 (0.49) NR4A1NR4A2NR4A3TNFSTING1
SCHEMBL117921 0.85 NR4A1 (0.60) NR4A1NR4A2NR4A3CDC25BCSNK2A2
SCHEMBL29702097 0.85 NR4A1 (0.60) NR4A1NR4A2NR4A3CDC25BCSNK2A2
SCHEMBL30937994 0.84 HASPIN (0.47) NR4A1NR4A2NR4A3TNFSTING1
SCHEMBL29715203 0.84 KDM4E (0.59) TNFKDM4EALDH1A1KMT2ATDP1
SCHEMBL28892310 0.84 TNF (0.46) NR4A1NR4A2NR4A3TNFSTING1
SCHEMBL14893839 0.84 HASPIN (0.47) NR4A1NR4A2NR4A3TNFSTING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108059206-A For three area's adsorptive reactors of orthophosphates in Adsorption waste water 北京益清源环保科技有限公司 2018-05-22 CN claimed
CN-107778230-A A kind of synthetic method of tetrahydro isoquinoline derivative 湖南华腾制药有限公司 2018-03-09 CN claimed
CN-104447547-B Synthesis method of 4-aminoisoquinoline-8-methyl formate 苏州康润医药有限公司 2017-04-19 CN claimed
WO-2025054318-A1 PCNA INHIBITORS AND USES THEREOF CITY OF HOPE (US) 2025-03-13 WO disclosed
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-111447931-B Anticancer/antifibrotic compounds 加利福尼亚大学董事会 2024-01-26 CN disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
CN-111377934-B Heterocyclic compound, preparation and application thereof 中国科学院上海药物研究所 2023-01-24 CN disclosed
WO-2023277630-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR 주식회사 티움바이오 2023-01-05 WO disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed
CN-111447931-A Anti-cancer/anti-fibrosis compounds 加利福尼亚大学董事会 2020-07-24 CN disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
WO-2006014290-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-02-09 WO disclosed
US-20050288286-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2005-12-29 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 US disclosed
EP-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 WO disclosed
US-4062961-A SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES SMITHKLINE CORPORATION (US) 1977-12-13 US disclosed
US-3988339-A 7 OR 8-SUBSTITUTED 1,2,3,4-TETRAHYDRO-ISOQUINOLINE SMITHKLINE CORPORATION (US) 1976-10-26 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-20070037808-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 NR4A1 3239/4885NR4A2 2370/4885NR4A3 2448/4885
US-20050288286-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF NR4A1 3816/4885NR4A2 2369/4885NR4A3 2314/4885
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 NR4A1 24/4885NR4A2 66/4885NR4A3 53/4885

“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.