SCHEMBL3662007

SCHEMBL3662007

CCOC(=O)c1cccnc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
TSHR P16473 1/20 0.54
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.51
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
BRD4 O60885 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
TGFBR1 P36897 1/20 0.44
ACHE P22303 1/20 0.44
IDO1 P14902 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL30785815 1.00 KDM4E (0.55) KDM4ETSHRALDH1A1HPGDHTT
SCHEMBL6890668 0.90 TSHR (0.53) KDM4ETSHRALDH1A1HPGDHTT
SCHEMBL6888220 0.90 TSHR (0.53) KDM4ETSHRALDH1A1HPGDHTT
SCHEMBL30468344 0.88 KDM4E (0.47) KDM4ETSHRALDH1A1HPGDHTT
SCHEMBL12775293 0.86 TSHR (0.56) TSHRALDH1A1HPGDHTTHSD17B10
SCHEMBL6890524 0.85 TSHR (0.54) TSHRALDH1A1HTTHSD17B10L3MBTL1
SCHEMBL3583783 0.83 MAPT (0.47) KDM4ETSHRALDH1A1HPGDHTT
SCHEMBL844529 0.83 KDM4E (0.51) KDM4ETSHRALDH1A1HSD17B10L3MBTL1
SCHEMBL16857456 0.81 KDM4E (0.53) KDM4ETSHRALDH1A1HPGDHTT
SCHEMBL12752482 0.80 TSHR (0.49) TSHRALDH1A1HTTHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719394-A2 INHIBITORS OF TYK2 Atomwise Inc. (US) 2026-04-08 EP disclosed
US-20260048051-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ATOMWISE INC (US) 2026-02-19 US disclosed
US-12358904-B2 Inhibitors of TYK2 Atomwise Inc. (US) 2025-07-15 US disclosed
US-20240417396-A1 INHIBITORS OF TYK2 Atomwise Inc. 2024-12-19 US disclosed
WO-2024250010-A2 INHIBITORS OF TYK2 Atomwise Inc. (US) 2024-12-05 WO disclosed
CN-117642385-A Pesticidally active cyclic amine compounds 先正达农作物保护股份公司 2024-03-01 CN disclosed
US-20240002341-A1 METHODS OF MAKING NICOTINIC ACID DERIVATIVES AURORIUM HOLDINGS LLC 2024-01-04 US disclosed
EP-4232028-A1 METHODS OF MAKING NICOTINIC ACID DERIVATIVES Vertellus Holdings LLC (US) 2023-08-30 EP disclosed
CN-116635369-A Process for preparing nicotinic acid derivatives 弗特鲁斯控股有限责任公司 2023-08-22 CN disclosed
CN-111566103-B Aminoimidazopyrazines as kinase inhibitors 百时美施贵宝公司 2023-06-23 CN disclosed
WO-2015187934-A1 FUNCTIONALIZED HETROARYL ENONES EXHIBITING NRF2 ACTIVATION AND THEIR METHOD OF USE CUREVEDA, LLC (US) 2015-12-10 WO disclosed
CN-102977009-A Synthesizing method of 2-trifluoromethyl-3-fluoropyridin HANGZHOU ALLSINO CHEMICAL CO LTD 2013-03-20 CN disclosed
CN-101965334-A Novel precursors BIAL PORTELA & CA SA 2011-02-02 CN disclosed
US-20100292482-A1 NOVEL PRECURSORS BIAL -Portela & CA.., S.A. 2010-11-18 US disclosed
EP-2217571-A2 NOVEL PRECURSORS BIAL - Portela & Ca., S.A. (PT) 2010-08-18 EP disclosed
WO-2009054742-A2 NOVEL PRECURSORS BIAL - PORTELA & CA., S.A. (PT) 2009-04-30 WO disclosed
US-6777556-B2 REACTING KETO-VINYL ETHER COMPOUND WITH DIALKYLAMINOACRYLATE COMPOUND TO OBTAIN DIALKYLAMINO-OXO-ESTER COMPOUND; REACTING WITH AMMONIA OR AMMONIUM COMPOUND TO FORM NICOTINIC ESTER COMPOUND, HYDROLYSIS BAYER CHEMICALS AG (DE) 2004-08-17 US disclosed
US-20030176468-A1 Process for preparing 2-haloalkylnicotinic acids LANXESS DEUTSCHLAND GMBH (DE) 2003-09-18 US disclosed
EP-1340747-A1 Process for the preparation of 2-halogene-alkyl nicotinic acid alkyl-esters BAYER AG (DE) 2003-09-03 EP disclosed
CN-1053428-A Substituted pyridine compound MONSANTO CO (US) 1991-07-31 CN 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 (6 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-20240417396-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 KDM4E 302/4885TSHR 1383/4885ALDH1A1 4785/4885
US-20260048051-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE TYK2, FRK, DYRK2 KDM4E 642/4885TSHR 445/4885ALDH1A1 4552/4885
US-20100292482-A1 NOVEL PRECURSORS CBR3, CBR1, C1R KDM4E 1533/4885TSHR 644/4885ALDH1A1 1363/4885
US-20030176468-A1 Process for preparing 2-haloalkylnicotinic acids HDHD5, GNPAT, HACL2 KDM4E 3641/4885TSHR 3401/4885ALDH1A1 252/4885
US-12358904-B2 Inhibitors of TYK2 TYK2, LCK, JAK2 KDM4E 302/4885TSHR 1383/4885ALDH1A1 4785/4885
US-20240002341-A1 METHODS OF MAKING NICOTINIC ACID DERIVATIVES NAPRT, NNMT, NAMPT KDM4E 2875/4885TSHR 3251/4885ALDH1A1 803/4885

“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.