SCHEMBL2100554

SCHEMBL2100554

[CH](c1cccc2ccccc12)C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
CHAT P28329 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMPD2 O60906 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL7616489 0.81 SMPD2 (0.42) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3243723 0.75 ALDH1A1 (0.45) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6709427 0.72 ALDH1A1 (0.50) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28387247 0.72 GRIN2D (0.47) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28387248 0.72 GRIN2D (0.47) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16241984 0.72 RXRA (0.38) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1864750 0.71 ALDH1A1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL816177 0.71 TSHR (0.50) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10706687 0.71 CHAT (0.62) RXRACHATTSHRHSD17B10HDAC8
SCHEMBL2494362 0.71 TSHR (0.50) RXRAGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744330-B1 SUBSTITUTED (E)-N'-(1-PHENYLETHYLIDENE) BENZOHYDRAZIDE ANALOGS AS HISTONE DEMETHYLASE INHIITORS UNIV UTAH RES FOUND (US) 2020-07-15 EP disclosed
EP-3680238-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS University of Utah Research Foundation (US) 2020-07-15 EP disclosed
EP-3628665-A1 SUBSTITUTED N-PHENYLPYRIMIDIN-2-AMINE ANALOGS AS INHIBITORS OF THE AXL KINASE University of Utah Research Foundation (US) 2020-04-01 EP disclosed
EP-2693881-B1 SUBSTITUTED N-PHENYLPYRIMIDIN-2-AMINE ANALOGS AS INHIBITORS OF THE AXL KINASE UNIV UTAH RES FOUND (US) 2019-09-04 EP disclosed
CN-110015984-A Substituted (E)-N '-(1- phenylethylene) benzoyl hydrazine analog as histone demethylase inhibitor 犹他大学研究基金会 2019-07-16 CN disclosed
EP-3010915-B1 SUBSTITUTED (3-(5-CHLORO-2-HYDROXYPHENYL)-1-BENZOYL-1H-PYRAZOLE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS UNIV UTAH RES FOUND (US) 2019-05-08 EP disclosed
CN-105555784-B Substituted (E) -N' - (1-phenylethylene) benzoyl hydrazine analogs as histone demethylase inhibitors 犹他大学研究基金会 2019-03-15 CN disclosed
US-20180134719-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION 2018-05-17 US disclosed
EP-2694486-B1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIV UTAH RES FOUND (US) 2018-01-10 EP disclosed
US-9828376-B2 Substituted N-(3-pyrimidin-4-yl)phenyl)acrylamide analogs as tyrosine receptor kinase BTK inhibitors UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-11-28 US disclosed
WO-2013025805-A1 SUBSTITUTED (E)-N'-(1-PHENYLETHYLIDENE) BENZOHYDRAZIDE ANALOGS AS HISTONE DEMETHYLASE INHIITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2013-02-21 WO disclosed
WO-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 WO disclosed
US-20120283261-A1 SUBSTITUTED N-PHENYLPYRIMIDIN-2-AMINE ANALOGS AS INHIBITORS OF THE AXL KINASE SUMITOMO PHARMA ONCOLOGY, INC. 2012-11-08 US disclosed
US-20120277229-A1 SUBSTITUTED 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-INDAZOLE ANALOGS AS INHIBITORS OF THE PDK1 KINASE UNIVERSITY OF UTAH RESEARCH FOUNDATION 2012-11-01 US disclosed
US-8163922-B2 Process for the preparation of 8-hydroxy-5-[(1R)-1-hydroxy-2[[(1R)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]-2(1H)-quinolinone monohydrochloride CHIESI FARMACEUTICI S.P.A. (IT) 2012-04-24 US disclosed
US-20090326231-A1 PROCESS FOR THE PREPARATION OF 8-HYDROXY-5-[(1R)-1-HYDROXY-2[[(1R)-2-(4-METHOXYPHENYL)-1-METHYLETHYL]AMINO]ETHYL]-2(1H)-QUINOLINONE MONOHYDROCHLORIDE CHIESI FARMACEUTICI S.P.A. (IT) 2009-12-31 US disclosed
US-4642342-A Azetidinedione urethanes THE DOW CHEMICAL COMPANY (US) 1987-02-10 US disclosed
US-4612374-A Tris-azetidinedione derivative 1,3,5-triazin-2,4,6-triones THE DOW CHEMICAL COMPANY (US) 1986-09-16 US disclosed
US-4576747-A Isocyanato-azetidinediones THE UPJOHN COMPANY (US) 1986-03-18 US disclosed
EP-0161591-A1 Isocyanato-azetidine-diones THE DOW CHEMICAL COMPANY (US) 1985-11-21 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-20120283261-A1 SUBSTITUTED N-PHENYLPYRIMIDIN-2-AMINE ANALOGS AS INHIBITORS OF THE AXL KINASE AXL, TYRO3, MERTK RXRA 3655/4885GRIN2D 822/4885GRIN3B 587/4885
US-20120277229-A1 SUBSTITUTED 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-INDAZOLE ANALOGS AS INHIBITORS OF THE PDK1 KINASE PDK1, PDK3, PDK2 RXRA 3862/4885GRIN2D 829/4885GRIN3B 844/4885
US-20180134719-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS BTK, SYK, LYN RXRA 4481/4885GRIN2D 1246/4885GRIN3B 1364/4885
US-20090326231-A1 PROCESS FOR THE PREPARATION OF 8-HYDROXY-5-[(1R)-1-HYDROXY-2[[(1R)-2-(4-METHOXYPHENYL)-1-METHYLETHYL]AMINO]ETHYL]-2(1H)-QUINOLINONE MONOHYDROCHLORIDE CYP8B1, UGT1A8, CYP2C8 RXRA 1818/4885GRIN2D 666/4885GRIN3B 2353/4885

“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.