Sugi Predict

Sugi Predict / Compounds / SCHEMBL2747848

SCHEMBL2747848

SCHEMBL2747848

Nc1ccc(Oc2cccc(C(F)(F)F)c2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.53
▸ ERBB2 P04626 8/20 0.53
▸ MAPT P10636 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MRGPRX4 Q96LA9 1/20 0.51
▸ ERBB3 P21860 5/20 0.50
▸ ERBB4 Q15303 5/20 0.50
▸ STK39 Q9UEW8 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ FFAR1 O14842 3/20 0.44
▸ MAOB P27338 2/20 0.43
▸ ADORA2A P29274 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
SCHEMBL29638122 1.00 EGFR (0.53) EGFRERBB2MAPTNPSR1L3MBTL1
SCHEMBL3506992 0.89 EGFR (0.44) EGFRERBB2MAPTNPSR1L3MBTL1
SCHEMBL8813323 0.88 MRGPRX4 (0.61) EGFRERBB2MAPTNPSR1L3MBTL1
SCHEMBL3505462 0.86 EGFR (0.43) EGFRERBB2MAPTNPSR1L3MBTL1
SCHEMBL3507225 0.85 CYP2C19 (0.43) EGFRERBB2MAPTNPSR1L3MBTL1
SCHEMBL3506969 0.84 EGFR (0.41) EGFRERBB2MAPTNPSR1L3MBTL1
SCHEMBL2576322 0.84 MAPT (0.52) EGFRERBB2MAPTNPSR1L3MBTL1
SCHEMBL3508089 0.83 MRGPRX4 (0.44) EGFRERBB2MAPTNPSR1L3MBTL1
SCHEMBL10538095 0.83 NPSR1 (0.57) EGFRERBB2MAPTNPSR1L3MBTL1
SCHEMBL7187883 0.82 MAOB (0.55) MAPTL3MBTL1MRGPRX4TSHRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107266475-A A kind of imidazolidine and thiazolopyridin hydrochloric acid salt compounds and preparation method thereof 陈国栋 2017-10-20 — — CN claimed
US-20240059698-A1 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY INC. (US) 2024-02-22 — — US disclosed
WO-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 — — WO disclosed
WO-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 — — WO disclosed
CN-107835828-A Caprolactam formulation 巴斯夫欧洲公司 2018-03-23 — — CN disclosed
CN-105142673-B Novel cyclohexyl and quininuclidinyl carbamate derivatives with beta 2-adrenergic activator and M3 muscarinic antagonists activity 阿尔米雷尔有限公司 2018-01-05 — — CN disclosed
CN-104592105-B Regorafenib and manufacture method thereof 杭州朱养心药业有限公司 2017-01-18 — — CN disclosed
CN-102947271-B Process for the preparation of 4- {4- [ ({ [ 4-chloro-3- (trifluoromethyl) phenyl ] amino } carbonyl) amino ] -3-fluorophenoxy } -N-methylpyridine-2-carboxamide, salts and monohydrate thereof 拜尔健康护理有限责任公司 2016-11-09 — — CN disclosed
EP-1752457-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-03-19 — — EP disclosed
CN-1474803-B Amide derivatives and their use for the preparation of medicaments MITSUBISHI TANABE PHARMA CORP 2012-11-21 — — CN disclosed
EP-1752457-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-02-14 — — EP disclosed
EP-1731523-A1 THIAZOLOPYRIMIDINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-12-13 — — EP disclosed
CN-1330660-A Cycle tetrapeptide compound and their use FUJISAWA PHARMACEUTICAL CO (JP) 2002-01-09 — — CN disclosed
CN-1032212-C N-protected alpha-L-aspartyl-L-methyl phenylalaninate MITSUI TOATSU CHEMICALS (JP) 1996-07-03 — — CN disclosed
CN-1036581-A N-is protected the preparation method of 2-L-aspartyl-L-phenylalanine methyl esters MITSUI TOATSU CHEMICALS (JP) 1989-10-25 — — CN disclosed
US-4129704-A Polymerization of vinyl monomers employing a diperoxyester mixture composition prepared by reacting dihydroperoxide and peroxyester forming carbonyl compounds PENNWALT CORPORATION (US) 1978-12-12 — — US disclosed
US-4097408-A FROM DIHYDOPEROXIDE AND CARBONYL COMPOUND, POLYMERIZATION CATALYSTS PENNWALT CORPORATION (US) 1978-06-27 — — US disclosed
US-4080193-A (Trifluoromet hylphenoxy)-phenylurea compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1978-03-21 — — US disclosed
US-4012380-A 7-Acylamino-3-acyl-2(or 3)cephems ELI LILLY AND COMPANY (US) 1977-03-15 — — US disclosed
US-3953436-A 3,4-Dicarboxycephalosporins and derivatives ELI LILLY AND COMPANY (US) 1976-04-27 — — 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 (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-20240059698-A1 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885MAPT 4295/4885

“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.