SCHEMBL827601

SCHEMBL827601

FC(F)(F)c1cccc2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TRPV1 Q8NER1 1/20 0.45
POLB P06746 2/20 0.44
BACE1 P56817 1/20 0.44
CLK1 P49759 1/20 0.43
CYP3A4 P08684 1/20 0.42
AXL P30530 1/20 0.42
AR P10275 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
PARP1 P09874 1/20 0.41
TNF P01375 1/20 0.41
CXCL8 P10145 1/20 0.41

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
Ammonia Solution, Strong SCHEMBL11973872 0.98 MAPT (0.50) MAPTKDM4ETRPV1POLBBACE1
SCHEMBL826351 0.86 BACE1 (0.50) MAPTKDM4EPOLBBACE1CYP3A4
Ammonia Solution, Strong SCHEMBL11973873 0.84 BACE1 (0.49) MAPTKDM4EPOLBBACE1AR
SCHEMBL29664770 0.80 MAPT (0.44) MAPTKDM4ETRPV1POLBCLK1
SCHEMBL23216915 0.80 MAPT (0.44) MAPTKDM4ETRPV1POLBCLK1
SCHEMBL27991410 0.80 MAPT (0.52) MAPTKDM4EPOLBCYP3A4MEN1
SCHEMBL761999 0.80 MAPT (0.52) MAPTKDM4EPOLBCYP3A4MEN1
SCHEMBL20505753 0.77 MAPT (0.48) MAPTKDM4EPOLBCYP3A4MEN1
SCHEMBL22803990 0.76 BACE1 (0.45) MAPTKDM4ETRPV1BACE1CLK1
SCHEMBL5020161 0.76 MAPT (0.52) MAPTKDM4ETRPV1CLK1CYP3A4

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
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US claimed
CN-104177293-A Synthesis method of 5-amino-7-trifluoromethyl quinoline and 5-trifluoromethyl-7-amino quinoline SUZHOU KANGRUN PHARMACEUTICALS INC 2014-12-03 CN claimed
EP-3183250-B1 PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL CLAP CO LTD (KR) 2023-10-04 EP disclosed
WO-2023168367-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS IMMUNESENSOR THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
CN-111566116-B Novel metal complex, process for producing the same, and process for producing gamma-lactam compound using the same 基础科学研究院 2023-06-09 CN disclosed
CN-115692848-B Electrolyte additive, lithium battery electrolyte, preparation method and lithium battery 重庆太蓝新能源有限公司 2023-04-18 CN disclosed
CN-115692848-A Electrolyte additive, lithium battery electrolyte, preparation method of lithium battery electrolyte and lithium battery 重庆太蓝新能源有限公司 2023-02-03 CN disclosed
EP-3183757-B1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING LIQUID MEDIUM CLAP CO LTD (KR) 2022-05-04 EP disclosed
CN-107004768-B Organic semiconductor composition containing a liquid medium 巴斯夫欧洲公司 2020-08-21 CN disclosed
US-10454037-B2 Organic semiconductor composition comprising a liquid medium BASF SE (DE) 2019-10-22 US disclosed
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2012-06-07 US disclosed
US-8143407-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2012-03-27 US disclosed
EP-1481978-B1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO (JP) 2011-09-14 EP disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP disclosed
US-4396620-A BACTERICIDES ELI LILLY AND COMPANY (US) 1983-08-02 US disclosed
US-4382931-A 3'-Substituted quinolinium cephalosporins ELI LILLY AND COMPANY (US) 1983-05-10 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 (5 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-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS MAPT 1364/4885KDM4E 2745/4885TRPV1 1258/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS MAPT 1253/4885KDM4E 3652/4885TRPV1 1587/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS MAPT 1364/4885KDM4E 2745/4885TRPV1 1258/4885
US-10454037-B2 Organic semiconductor composition comprising a liquid medium CRY1, NEFM, OR10J3 MAPT 640/4885KDM4E 4719/4885TRPV1 603/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR MAPT 150/4885KDM4E 3646/4885TRPV1 2357/4885

“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.