SCHEMBL175426

SCHEMBL175426

Nc1nc2c(s1)CN(C(=O)O)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.53
RECQL P46063 1/20 0.53
GRM5 P41594 14/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
LMNA P02545 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR2A P28223 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
OPRK1 P41145 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL28449516 0.87 DRD2 (0.43) RAD52RECQLGRM5NPC1RAB9A
SCHEMBL5908794 0.86 GRM5 (0.55) RAD52RECQLGRM5NPC1RAB9A
SCHEMBL765407 0.85 RAD52 (0.41) RAD52RECQLGRM5NPC1RAB9A
SCHEMBL985377 0.82 GRM5 (0.45) GRM5NPC1RAB9A
SCHEMBL10825454 0.82 RAD52 (0.51) RAD52RECQLGRM5NPC1RAB9A
SCHEMBL15240212 0.82 RAD52 (0.48) RAD52RECQLGRM5NPC1RAB9A
SCHEMBL17933982 0.82 RAD52 (0.51) RAD52RECQLGRM5NPC1RAB9A
SCHEMBL22396285 0.81 GRM5 (0.44) GRM5NPC1RAB9A
SCHEMBL28895700 0.81 GRM5 (0.44) GRM5NPC1RAB9A
SCHEMBL28371109 0.80 NPC1 (0.44) RAD52RECQLGRM5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024088407-A1 NITROGEN-CONTAINING FUSED RING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 杭州圣域生物医药科技有限公司 2024-05-02 WO disclosed
CN-117946138-A And ring nitrogen-containing compound, intermediate thereof, preparation method and application 杭州圣域生物医药科技有限公司 2024-04-30 CN disclosed
CN-117903166-A Novel ASK1 inhibitor and preparation method and application thereof 中国药科大学 2024-04-19 CN disclosed
CN-111592534-B New compounds 特殊治疗有限公司 2023-06-30 CN disclosed
CN-114728926-A ROCK inhibitor and preparation method and application thereof 武汉朗来科技发展有限公司 2022-07-08 CN disclosed
CN-113874074-A HMOX1 inducers 米托布里奇公司 2021-12-31 CN disclosed
CN-111592534-A Novel compounds 特殊治疗有限公司 2020-08-28 CN disclosed
CN-107001339-B Novel compounds 特殊治疗有限公司 2020-03-17 CN disclosed
EP-3484878-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS Bristol-Myers Squibb Company (US) 2019-05-22 EP disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 WO disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1562958-A1 N-SULFONYLAMINOTHIAZOLE Novartis AG (CH) 2005-08-17 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
WO-2004043968-A1 N-SULFONYLAMINOTHIAZOLE NOVARTIS AG (CH) 2004-05-27 WO disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 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 (4 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S RAD52 1989/4885RECQL 250/4885GRM5 2706/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R RAD52 1613/4885RECQL 23/4885GRM5 2219/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R RAD52 1613/4885RECQL 23/4885GRM5 2219/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R RAD52 1613/4885RECQL 23/4885GRM5 2219/4885

“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.