SCHEMBL4043331

SCHEMBL4043331

O=C(NC(F)(F)F)c1ccncc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
KDM4E B2RXH2 3/20 0.55
MPO P05164 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2A6 P11509 1/20 0.55
CYP2C19 P33261 1/20 0.55
PKM P14618 1/20 0.54
GAA P10253 1/20 0.53
PLOD2 O00469 1/20 0.52
PLOD3 O60568 1/20 0.52
PLOD1 Q02809 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.48

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 SCHEMBL28122950 0.98 ALDH1A1 (0.57) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL1423877 0.79 SMN1; SMN2 (0.67) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL118008 0.78 HDAC3 (0.54) ALDH1A1GAAPOLBSMN1; SMN2RAB9A
SCHEMBL6677646 0.78 KDM4E (0.50) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL628398 0.77 HDAC1 (0.62) ALDH1A1GAAPLOD2PLOD3PLOD1
Hydrochloric Acid SCHEMBL1268649 0.77 HDAC3 (0.52) ALDH1A1GAAPOLBSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL5168768 0.77 HDAC3 (0.52) ALDH1A1GAAPOLBSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL4002564 0.77 HDAC3 (0.52) ALDH1A1GAAPOLBSMN1; SMN2RAB9A
SCHEMBL1233873 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EMPOCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6828319 0.76 HDAC1 (0.61) ALDH1A1GAAPLOD2PLOD3PLOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311841-B Heteroaryl-1, 2, 4-triazole and heteroaryl-tetrazole compounds for controlling ectoparasites 瑞士伊兰科动物保健有限公司 2021-04-27 CN claimed
WO-2020248972-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2020-12-17 WO claimed
EP-3710444-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-09-23 EP claimed
EP-3697791-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS Innopharm (Shanghai) Ltd. (CN) 2020-08-26 EP claimed
WO-2019076358-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2019-04-25 WO claimed
CN-103415507-B As the 3-amino-pyridine class of GPBAR1 agonist HOFFMAN-LA ROCHE LTD. (CH) 2016-03-02 CN claimed
EP-2681194-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-08 EP claimed
WO-2012117000-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-07 WO claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed
US-12630533-B2 Heterocyclic compounds useful as KCNT1 inhibitors ACTIO BIOSCIENCES, INC. (US) 2026-05-19 US disclosed
US-12552748-B2 Pyridine (thio)amides as fungicidal compounds BAYER AKTIENGESELLSCHAFT (DE) 2026-02-17 US disclosed
US-20250313548-A1 HETEROCYCLIC COMPOUNDS USEFUL AS KCNT1 INHIBITORS ACTIO BIOSCIENCES, INC. 2025-10-09 US disclosed
US-20240182467-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2024-06-06 US disclosed
CN-111344287-B Novel substituted biaryl compounds as indoleamine 2, 3-dioxygenase (IDO) inhibitors 默沙东有限责任公司 2023-12-19 CN disclosed
EP-2681194-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-08 EP disclosed
WO-2012117000-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-07 WO disclosed
EP-2490538-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS Sumitomo Chemical Company, Limited (JP) 2012-08-29 EP disclosed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO 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 (4 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-20240182467-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, ARAF ALDH1A1 2750/4885KDM4E 1831/4885MPO 3864/4885
US-20250313548-A1 HETEROCYCLIC COMPOUNDS USEFUL AS KCNT1 INHIBITORS KCNT1, KCNT2, KCNN3 ALDH1A1 1929/4885KDM4E 1709/4885MPO 4754/4885
US-12630533-B2 Heterocyclic compounds useful as KCNT1 inhibitors KCNT1, KCNT2, KCNJ2 ALDH1A1 1762/4885KDM4E 2324/4885MPO 4225/4885
US-12552748-B2 Pyridine (thio)amides as fungicidal compounds CBR1, CBR3, TH ALDH1A1 760/4885KDM4E 1771/4885MPO 1122/4885

“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.