SCHEMBL11950652

SCHEMBL11950652

Cc1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HSD11B1 P28845 5/20 0.46
P2RX7 Q99572 3/20 0.44
TAS2R14 Q9NYV8 1/20 0.40
NOTUM Q6P988 1/20 0.39
TYK2 P29597 1/20 0.38
KCNN4 O15554 1/20 0.38
PYCR1 P32322 1/20 0.36
CTSS P25774 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6630838 0.83 TAS2R14 (0.46) ALDH1A1HSD11B1P2RX7TAS2R14NOTUM
SCHEMBL3785330 0.81 ALDH1A1 (0.50) ALDH1A1KCNN4PTGS2MEN1LMNA
SCHEMBL11966007 0.79 ALDH1A1 (0.48) ALDH1A1HSD11B1KCNN4LMNAMAPT
SCHEMBL20862661 0.78 ALDH1A1 (0.39) ALDH1A1HSD11B1P2RX7KCNN4MEN1
SCHEMBL17420584 0.77 PDK1 (0.41) ALDH1A1TAS2R14TYK2PTGS2MEN1
SCHEMBL29764291 0.76 P2RX7 (0.52) HSD11B1P2RX7NOTUMTYK2CTSS
SCHEMBL3821590 0.76 TRPA1 (0.48) ALDH1A1HSD11B1P2RX7TAS2R14NOTUM
SCHEMBL30867018 0.76 TRPA1 (0.48) ALDH1A1HSD11B1P2RX7TAS2R14NOTUM
SCHEMBL312929 0.76 P2RX7 (0.52) HSD11B1P2RX7NOTUMTYK2CTSS
SCHEMBL16579368 0.76 ALDH1A1 (0.50) ALDH1A1HSD11B1KCNN4LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337520-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 US disclosed
WO-2023083269-A1 AROMATIC HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 中国科学院上海药物研究所 2023-05-19 WO disclosed
WO-2023016527-A1 CLASS OF BENZOXAZINE SPIRO COMPOUNDS AND PREPARATION METHOD THEREFOR 南京明德新药研发有限公司 2023-02-16 WO disclosed
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones Impact Therapeutics (Shanghai), Inc (CN) 2022-05-31 US disclosed
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES Impact Therapeutics (Shanghai), Inc (CN) 2020-12-10 US disclosed
US-10703759-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones IMPACT THERAPEUTICS, INC (CN) 2020-07-07 US disclosed
EP-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
EP-3429355-B1 SUBSTITUTED SULFONYLAMIDE FOR COMBATING ANIMAL PESTS BAYER CROPSCIENCE AG (DE) 2020-02-05 EP disclosed
WO-2020023792-A1 COMBINATION THERAPY FOR NICOTINE ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2020-01-30 WO disclosed
US-20190308984-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES Impact Therapeutics (Shanghai), Inc (CN) 2019-10-10 US disclosed
EP-2993170-A1 N-[4-(2-OXO-1,2-DIHYDRO-PYRIDIN-4-YL)-BENZYL]-BENZAMIDE DERIVATIVES AS ALDH-2 INHIBITORS FOR THE TREATMENT OF ADDICTION Gilead Sciences, Inc. (US) 2016-03-09 EP disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20130005689-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION GILEAD SCIENCES, INC. (US) 2013-01-03 US disclosed
WO-2012098416-A1 DIARYLACETYLENE HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2012-07-26 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-7759388-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2010-07-20 US disclosed
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO. INC (JP) 2009-02-19 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 (10 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 ALDH1A1 4161/4885HSD11B1 3844/4885P2RX7 481/4885
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, VCAM1, ITGA4 ALDH1A1 1647/4885HSD11B1 2976/4885P2RX7 2135/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALDH1A1 1560/4885HSD11B1 1140/4885P2RX7 1762/4885
US-20190308984-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 ALDH1A1 1361/4885HSD11B1 2836/4885P2RX7 1446/4885
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 ALDH1A1 1361/4885HSD11B1 2836/4885P2RX7 1446/4885
US-20230337520-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, LPO, LPL ALDH1A1 781/4885HSD11B1 3119/4885P2RX7 2796/4885
US-20130005689-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION OPRK1, OPRM1, OPRD1 ALDH1A1 95/4885HSD11B1 579/4885P2RX7 4303/4885
US-10703759-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 ALDH1A1 1361/4885HSD11B1 2836/4885P2RX7 1446/4885
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES PRDX6, PRDX1, CBR3 ALDH1A1 861/4885HSD11B1 1661/4885P2RX7 14/4885
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 ALDH1A1 1361/4885HSD11B1 2836/4885P2RX7 1446/4885

“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.