SCHEMBL3545255

SCHEMBL3545255

CC(C)(C)NC(=O)Oc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
FAAH O00519 1/20 0.49
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 4/20 0.44
THRB P10828 1/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 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
Methane SCHEMBL27556274 0.98 KMT2A (0.49) KMT2AFAAHCCNCCDK8ALOX15
SCHEMBL28088111 0.84 KMT2A (0.47) KMT2AFAAHCCNCCDK8ALOX15
SCHEMBL27889782 0.81 KMT2A (0.54) KMT2AFAAHCCNCCDK8ALOX15
SCHEMBL29214584 0.80 HCAR2 (0.38) ALDH1A1KDM4EGAAMAPTTHRB
SCHEMBL3548849 0.80 RAB9A (0.46) KDM4EMAPTRAB9A
SCHEMBL1893211 0.79 ALDH1A1 (0.51) KMT2AALDH1A1KDM4EMEN1GAA
SCHEMBL27496070 0.79 TUBB4A (0.45) FAAHALDH1A1KDM4EMAPK1MAPT
SCHEMBL16005701 0.78 KMT2A (0.54) KMT2ACCNCCDK8ALOX15ALDH1A1
SCHEMBL29473372 0.78 KMT2A (0.54) KMT2ACCNCCDK8ALOX15ALDH1A1
SCHEMBL27588504 0.78 KMT2A (0.50) KMT2AFAAHCCNCCDK8ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102307622-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2012-01-04 CN claimed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP claimed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO claimed
CN-109966294-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-07-05 CN disclosed
CN-109897038-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-06-18 CN disclosed
CN-105829308-B Isochromene derivatives as phosphoinositide 3-kinase inhibitors 奇斯药制品公司 2019-03-08 CN disclosed
CN-106008466-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2018-12-14 CN disclosed
CN-106008322-B sulfonamide derivatives as BC L-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE 公司 2018-09-04 CN disclosed
CN-108175749-A The solid dispersions of melt extrusion containing cell death inducer 艾伯维爱尔兰无限公司 2018-06-19 CN disclosed
CN-105315259-B Pyridine amine pyrimidine derivates, its preparation method and application 上海艾力斯医药科技有限公司 2018-03-09 CN disclosed
CN-103282025-B Melt-extruded solid dispersions containing apoptosis-inducing agents 艾伯维爱尔兰无限公司 2018-01-02 CN disclosed
US-20080132515-A1 antiviral agents, in particular against cytomegaloviruses; {2-[4-(4-Fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[3,4-d]-pyrimidin-4-yl}acetic acid hydrochloride BAYER HEALTHCARE AG (DE) 2008-06-05 US disclosed
CN-101081850-A 7-phenylpyrazolopyridine compounds EISAI CO LTD (JP) 2007-12-05 CN disclosed
CN-101081853-A 4- (hydroxymethyl) -2, 6-dimethoxyphenylboronic acid compound EISAI CO LTD (JP) 2007-12-05 CN disclosed
CN-100338063-C 7-phenylpyrazolopyridine compounds EISAI CO LTD (JP) 2007-09-19 CN disclosed
CN-101001842-A Amido compounds and their use as pharmaceuticals INCYTE CORP (US) 2007-07-18 CN disclosed
CN-1980925-A Substituted azaquinazolines with antiviral activity AICURIS GMBH & CO KG (DE) 2007-06-13 CN disclosed
CN-1705665-A 7-phenylpyrazolopyridine compounds EISAI CO LTD (JP) 2005-12-07 CN disclosed
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN disclosed
CN-1244798-A Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds RHONE POULENC RORER PHARMA (US) 2000-02-16 CN 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 (1 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-20080132515-A1 antiviral agents, in particular against cytomegaloviruses; {2-[4-(4-Fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[3,4-d]-pyrimidin-4-yl}acetic acid hydrochloride ZC3HAV1, EIF2AK2, IRF3 KMT2A 1539/4885FAAH 2475/4885CCNC 190/4885

“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.