SCHEMBL183159

SCHEMBL183159

Nc1ncccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.46
NOS2 P35228 2/20 0.46
NOS1 P29475 1/20 0.46
EPHX2 P34913 1/20 0.43
NAPRT Q6XQN6 1/20 0.41
HSD11B1 P28845 2/20 0.39
CYP17A1 P05093 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NFE2L2 Q16236 2/20 0.37
MEN1 O00255 1/20 0.37
TNF P01375 1/20 0.37
CXCL8 P10145 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
KLF5 Q13887 1/20 0.37
MAP4K4 O95819 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
Hydrochloric Acid SCHEMBL28202486 0.98 NOS3 (0.45) NOS3NOS2NOS1EPHX2NAPRT
Hydrochloric Acid SCHEMBL29857654 0.98 NOS3 (0.45) NOS3NOS2NOS1EPHX2NAPRT
Formic Acid SCHEMBL31491080 0.89 NAPRT (0.42) NOS3NOS2NOS1EPHX2NAPRT
Trifluoroacetic Acid SCHEMBL30699729 0.87 NAPRT (0.49) NAPRTHSD11B1L3MBTL1NFE2L2CTNNB1
SCHEMBL1255100 0.86 SLC22A12 (0.43) NOS3NOS2NOS1NAPRTHSD11B1
SCHEMBL9629714 0.83 NOS3 (0.69) NOS3NOS2HSD11B1NFE2L2LMNA
SCHEMBL18191173 0.83 NOS3 (0.43) NOS3NOS2NOS1EPHX2NAPRT
SCHEMBL9317262 0.82 HSD11B1 (0.43) HSD11B1ALDH1A1TDP1MAP4K4
Trifluoroacetic Acid SCHEMBL31491047 0.82 NAPRT (0.44) NAPRTHSD11B1L3MBTL1NFE2L2CTNNB1
SCHEMBL9629201 0.79 NOS3 (0.42) NOS3NOS2HSD11B1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-224252748-U 2-Amino-3-trifluoromethyl pyridine apparatus for producing 山东汇盟生物科技股份有限公司 2026-05-19 CN claimed
EP-4688155-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS Bial-Portela & CA, S.A. (PT) 2026-02-11 EP claimed
EP-2991978-B1 BIHETEROARYL COMPOUNDS AND USES THEREOF F HOFFMANN LA ROCHE SA (CH) 2025-08-20 EP claimed
WO-2025125665-A1 FURTHER SUBSTITUTED IMIDAZOLES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2025-06-19 WO claimed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO claimed
WO-2025021997-A1 NEW MAP4K1 INHIBITORS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2025-01-30 WO claimed
US-20240174683-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 US claimed
WO-2024040109-A2 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-22 WO claimed
EP-4305037-A1 KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2024-01-17 EP claimed
EP-4305038-A1 KRAS G12D INHIBITORS Bristol-Myers Squibb Company (US) 2024-01-17 EP claimed
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP claimed
WO-2005048999-A2 USE OF CYCLOOXYGENASE-2 INHIBITORS FOR THE TREATMENT OF DEPRESSIVE DISORDERS GLAXO GROUP LIMITED (GB) 2005-06-02 WO claimed
WO-2005049034-A2 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS FOR THE TREATMENT OF SCHIZOPHRENIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-06-02 WO claimed
WO-2004024691-A1 COX-2 INHIBITING PYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-03-25 WO claimed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 WO claimed
US-20030109551-A1 Remedies or preventives for pulmonary insufficiency containing diaminotrifluoromethylpyridne derivatives ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-06-12 US claimed
EP-1252889-A1 REMEDIES OR PREVENTIVES FOR PULMONARY INSUFFICIENCY CONTAINING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-10-30 EP claimed
EP-0228846-B1 AMINO-TRIFLUOROMETHYLPYRIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-04-22 EP claimed
US-4762928-A PESTICIDES, MEDICINES ISHIHARA SANGYO KAISHA LTD. (JP) 1988-08-09 US claimed
EP-0228846-A1 Amino-trifluoromethylpyridine compound and process for preparing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-07-15 EP 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 (2 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-20030109551-A1 Remedies or preventives for pulmonary insufficiency containing diaminotrifluoromethylpyridne derivatives CBR1, CBR3, WDR1 NOS3 436/4885NOS2 633/4885NOS1 309/4885
US-20240174683-A1 MAP4K1 INHIBITORS MAP3K4, MAP4K4, MAP4K1 NOS3 642/4885NOS2 1040/4885NOS1 608/4885

“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.