Sugi Predict

Sugi Predict / Compounds / SCHEMBL134690

SCHEMBL134690

SCHEMBL134690

Nc1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NOTUM Q6P988 1/20 0.43
▸ NR2E1 Q9Y466 1/20 0.39
▸ KIF11 P52732 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ACP1 P24666 1/20 0.37
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ PTPN5 P54829 2/20 0.35
▸ TAS2R14 Q9NYV8 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ IDO1 P14902 2/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ ATG4B Q9Y4P1 1/20 0.34

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
SCHEMBL29426986 1.00 TSHR (0.46) TSHRMAPK1NOTUMNR2E1KIF11
SCHEMBL8016752 0.82 CA2 (0.43) NOTUMKIF11ACP1PLA2G1BATG4B
SCHEMBL18334820 0.82 KIF11 (0.39) TSHRMAPK1NOTUMNR2E1KIF11
SCHEMBL130383 0.82 TSHR (0.56) TSHRMAPK1NR2E1KIF11ALDH1A1
SCHEMBL131138 0.82 NOTUM (0.50) TSHRNOTUMALDH1A1ACP1S1PR1
SCHEMBL394717 0.82 TSHR (0.56) TSHRMAPK1NR2E1KIF11ALDH1A1
SCHEMBL1082212 0.82 NOTUM (0.50) TSHRNOTUMALDH1A1ACP1S1PR1
SCHEMBL3558744 0.81 NOTUM (0.38) TSHRMAPK1NOTUMNR2E1ALDH1A1
SCHEMBL3558741 0.80 RXRA (0.39) TSHRMAPK1NOTUMNR2E1KIF11
SCHEMBL1445873 0.79 NOTUM (0.48) TSHRNOTUMALDH1A1ACP1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036689-A Nilotinib preparation method of nylon 苏州特瑞药业股份有限公司 2026-05-15 — — CN claimed
CN-118108670-A Refining and purifying method of nilotinib intermediate 3- (4-methyl-1H-imidazol-1-yl) -5- (trifluoromethyl) aniline 江苏希迪制药有限公司 2024-05-31 — — CN claimed
CN-113979999-B Compound for targeted ubiquitination degradation of BCR-ABL kinase and preparation method, composition and application thereof 北京鑫开元医药科技有限公司 2022-05-20 — — CN claimed
CN-113979999-A Compound for targeted ubiquitination degradation of BCR-ABL kinase and preparation method, composition and application thereof 北京鑫开元医药科技有限公司 2022-01-28 — — CN claimed
EP-3904342-A1 PROCESS FOR THE PREPARATION OF 3-(TRIFLUOROMETHYL)-5-(4-METHYL-1H-IMIDAZOLE-1-YL)-BENZENEAMINE HYDROCHLORIDE Grindeks, A Joint Stock Company (LV) 2021-11-03 — — EP claimed
CN-108295882-B Preparation of core-shell nano catalyst and application of core-shell nano catalyst in preparation of tinib drugs 浙江树人学院 2020-07-14 — — CN claimed
CN-104817489-B A kind of heterocycle biphenyl aryl urea compounds with antitumor activity and its preparation method and application 西安交通大学 2017-06-27 — — CN claimed
CN-105949128-A Preparation method of nilotinib intermediate-3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 浙江汇能生物股份有限公司 2016-09-21 — — CN claimed
CN-104817489-A Heterocyclic biphenyl aryl urea compound with antitumor activity, preparation method and application thereof UNIV XI AN JIAOTONG 2015-08-05 — — CN claimed
CN-102174020-B method for synthesizing organic compounds NOVARTIS AG 2012-11-07 — — CN claimed
US-20100113800-A1 Formation of Carbon-nitrogen bond SHASUN PHARMA SOLUTIONS LIMITED (GB) 2010-05-06 — — US claimed
WO-2010009402-A2 NILOTINIB INTERMEDIATES AND PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-01-21 — — WO claimed
US-20100016590-A1 NILOTINIB INTERMEDIATES AND PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-01-21 — — US claimed
US-20080200692-A1 Process For the Synthesis of Organic Compounds NOVARTIS AG (CH) 2008-08-21 — — US claimed
CN-101189212-A Method for synthesizing organic compounds NOVARTIS AG (CH) 2008-05-28 — — CN claimed
CN-101168510-A Technique for preparing 3-bromo-5-trifluoromethylaniline GAOYOU GUANGMING CHEMICAL FACT (CN) 2008-04-30 — — CN claimed
EP-1910306-A1 CARBON-NITROGEN BOND FORMING PROCESS Shasun Pharma Solutions Limited (GB) 2008-04-16 — — EP claimed
EP-1896426-A2 PROCESS FOR THE SYNTHESIS OF ORGANIC COMPOUNDS Novartis AG (CH) 2008-03-12 — — EP claimed
WO-2007017734-A1 CARBON-NITROGEN BOND FORMING PROCESS SHASUN PHARMA SOLUTIONS LIMITED (GB) 2007-02-15 — — WO claimed
WO-2006135640-A2 PROCESS FOR THE SYNTHESIS OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-12-21 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20080200692-A1 Process For the Synthesis of Organic Compounds ODC1, AZI2, NISCH TSHR 2916/4885MAPK1 1608/4885NOTUM 2412/4885
US-20100016590-A1 NILOTINIB INTERMEDIATES AND PREPARATION THEREOF ABL1, FLT3, ABL2 TSHR 1207/4885MAPK1 605/4885NOTUM 4253/4885
US-20100113800-A1 Formation of Carbon-nitrogen bond AOC1, NES, NISCH TSHR 4350/4885MAPK1 1205/4885NOTUM 262/4885

“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.