SCHEMBL930288

SCHEMBL930288

NNC(=O)c1ccc(Br)cn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
OGG1 O15527 1/20 0.52
P2RX7 Q99572 2/20 0.50
MAOB P27338 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
BACE1 P56817 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TSHR P16473 1/20 0.42
BACE2 Q9Y5Z0 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
SCHEMBL7427750 0.81 MAOB (0.69) KDM4EALDH1A1MAOBRAB9AMEN1
SCHEMBL17004469 0.81 ALDH1A1 (0.60) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL31347402 0.81 KDM4E (0.60) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL1095318 0.81 KDM4E (0.60) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL10060679 0.80 KDM4E (0.55) KDM4EALDH1A1MAOBRAB9AMEN1
SCHEMBL30065409 0.80 KDM4E (0.55) KDM4EALDH1A1MAOBRAB9AMEN1
SCHEMBL285908 0.80 KDM4E (0.55) KDM4EALDH1A1MAOBNPC1RAB9A
Hydrochloric Acid SCHEMBL10709740 0.80 MAOB (0.68) KDM4EALDH1A1MAOBRAB9AMEN1
SCHEMBL23236347 0.79 EGLN1 (0.61) KDM4EALDH1A1MAOBTSHR
SCHEMBL9180143 0.78 ALDH1A1 (0.56) KDM4EALDH1A1OGG1P2RX7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115919859-B Pharmaceutical composition of heteroaryl derivative and application of pharmaceutical composition in medicine 四川海思科制药有限公司 2024-01-05 CN disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
CN-115919859-A Pharmaceutical composition of heteroaryl derivative and application thereof in medicine 四川海思科制药有限公司 2023-04-07 CN disclosed
WO-2022011338-A2 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2022-01-13 WO disclosed
WO-2022011337-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2022-01-13 WO disclosed
EP-3459953-B1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE TAIHO PHARMACEUTICAL CO LTD (JP) 2021-06-30 EP disclosed
US-10696690-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives ARES TRADING S.A. (CH) 2020-06-30 US disclosed
US-20190292190-A1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-09-26 US disclosed
EP-3459953-A1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2019-03-27 EP disclosed
US-20180215770-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES ARES TRADING SA (CH) 2018-08-02 US disclosed
US-20070185078-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER, INC. 2007-08-09 US disclosed
US-20070185078-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER, INC. 2007-08-09 US disclosed
EP-1758910-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2007-03-07 EP disclosed
WO-2006100588-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2006-09-28 WO disclosed
WO-2006100588-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2006-09-28 WO disclosed
WO-2005121152-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2005-12-22 WO disclosed
WO-2005121152-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2005-12-22 WO disclosed
WO-2005028452-A9 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2005-07-21 WO disclosed
WO-2005028452-A9 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2005-07-21 WO disclosed
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. PFIZER INC. 2005-05-19 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 (6 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-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, MAPKAPK2, MAP3K20 KDM4E 688/4885ALDH1A1 4878/4885OGG1 1460/4885
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. OXTR, OPRL1, NPY4R KDM4E 655/4885ALDH1A1 2633/4885OGG1 4829/4885
US-20180215770-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES APP, BACE1, PSEN1 KDM4E 4491/4885ALDH1A1 1206/4885OGG1 3429/4885
US-20070185078-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR2, AVPR1B KDM4E 4089/4885ALDH1A1 4211/4885OGG1 4371/4885
US-10696690-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives APP, BACE1, PSEN1 KDM4E 4491/4885ALDH1A1 1206/4885OGG1 3429/4885
US-20190292190-A1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE RPS6KA1, RPS6KA3, MAPK9 KDM4E 2994/4885ALDH1A1 4446/4885OGG1 1488/4885

“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.