SCHEMBL2722652

SCHEMBL2722652

Cc1ccc(NC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
ACHE P22303 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL29409552 0.78 KIF11 (0.44) HTTHDAC1HDAC7HDAC8
SCHEMBL5983235 0.76 NPC1 (0.48) MAPTHPGDTDP1ACHEMEN1
SCHEMBL3786178 0.76 MAPT (0.44) MAPTACHEMEN1KMT2ALMNA
SCHEMBL1248173 0.74 TDP1 (0.44) MAPTHPGDTDP1ACHEMEN1
SCHEMBL28444452 0.74 MAPT (0.42) MAPTHPGDMEN1KMT2ALMNA
SCHEMBL6313165 0.74 MAPT (0.42) MAPTHPGDTDP1MEN1KMT2A
SCHEMBL3651020 0.74 POLB (0.44) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL6325751 0.73 GAA (0.56) MAPTHPGDTDP1ACHEMEN1
SCHEMBL412378 0.72 ALDH1A1 (0.45) MAPTHPGDTDP1MEN1KMT2A
SCHEMBL11296546 0.72 CYP1A2 (0.57) MAPTHPGDACHEMEN1KMT2A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-09-26 US disclosed
WO-2023097195-A1 THERAPEUTIC INDAZOLE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2023-06-01 WO disclosed
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2023-02-09 US disclosed
WO-2021044478-A1 IONIC COMPOUND, ORGANIC ELECTRONICS MATERIAL, ORGANIC LAYER, ORGANIC ELECTRONICS ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY ELEMENT, LIGHTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC ELECTRONICS ELEMENT 昭和電工マテリアルズ株式会社 2021-03-11 WO disclosed
US-20210047277-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-02-18 US disclosed
WO-2019156439-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2019-08-15 WO disclosed
EP-3348547-A1 NOVEL BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE OF SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2018-07-18 EP disclosed
EP-2727947-B1 COPOLYMER, AND LIQUID CRYSTAL ALIGNMENT LAYER COMPRISING HARDENED PRODUCT THEREOF DAINIPPON INK & CHEMICALS (JP) 2017-03-15 EP disclosed
EP-3121167-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Hyundai Pharm Co., Ltd. (KR) 2017-01-25 EP disclosed
WO-2012054862-A2 AGENTS, COMPOSITIONS, AND METHODS FOR TREATING PRURITIS AND RELATED SKIN CONDITIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-04-26 WO disclosed
US-6359009-B1 IN PARTICULAR, SOIL-DWELLING COLEOPTERA; CROPS BASF AKTIENGESELLSCHAFT 2002-03-19 US disclosed
US-5886223-A REACTING A SUBSTITUTED ANILINE COMPOUND WITH A TETRAALKYL-1,3-CYCLOBUTANEDIONE COMPOUND AND A BASE IN THE PRESENCE OF A SOLVENT AMERICAN CYANAMID COMPANY (US) 1999-03-23 US disclosed
EP-0475676-B1 Electrophotographic member HITACHI CHEMICAL CO LTD (JP) 1996-04-03 EP disclosed
US-5403958-A Fluoroalkoxy-substituted diarylamines as intermediates for charge transfer compounds HITACHI CHEMICAL CO., LTD. (JP) 1995-04-04 US disclosed
US-5352834-A Fluorine-containing N,N,N*,N*-tetraarylbenzidine derivative as charge transport material for electrography HITACHI CHEMICAL COMPANY, LTD. (JP) 1994-10-04 US disclosed
US-5160487-A Tetraarylbenzidine derivative as charge transport compound HITACHI CHEMICAL COMPANY, LTD. (JP) 1992-11-03 US disclosed
EP-0475676-A1 Electrophotographic member HITACHI CHEMICAL CO., LTD. (JP) 1992-03-18 EP 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 (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-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK MAPT 3588/4885HPGD 1068/4885TDP1 1047/4885
US-20210047277-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK MAPT 3588/4885HPGD 1068/4885TDP1 1047/4885
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK MAPT 3588/4885HPGD 1068/4885TDP1 1047/4885

“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.