SCHEMBL3262633

SCHEMBL3262633

NC(=O)c1csc(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.44
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 1/20 0.40
ACHE P22303 1/20 0.40
CYP2C9 P11712 1/20 0.39
SCN9A Q15858 1/20 0.39
SCD O00767 1/20 0.39
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ADORA3 P0DMS8 1/20 0.34
TSHR P16473 1/20 0.34
MC4R P32245 1/20 0.34
ADRA1A P35348 1/20 0.34
MC3R P41968 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL27830260 0.84 ALDH1A1 (0.35) LMNAALDH1A1NPSR1GAAMAPT
SCHEMBL287556 0.82 KDM4E (0.47) ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL457405 0.81 HTR2B (0.44) HTR2BKMT2ACYP2C19ACHECYP2C9
SCHEMBL578096 0.81 KDM4E (0.46) ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL15356473 0.81 KDM1A (0.41) ALDH1A1GAAMAPTHTTKDM4E
SCHEMBL6844961 0.81 CBLB (0.35) LMNAALDH1A1NPSR1GAAMAPT
SCHEMBL14844543 0.80 ALDH1A1 (0.53) LMNAALDH1A1NPSR1GAAMAPT
Ethylene SCHEMBL27344274 0.79 KDM4E (0.44) ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL8880276 0.78 RAF1 (0.33) LMNAALDH1A1NPSR1GAAMAPT
Trifluoroacetic Acid SCHEMBL27830221 0.78 KDM4E (0.35) LMNAALDH1A1GAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794896-A Protease inhibitors for the treatment of coronavirus infections 斯克里普斯研究学院 2024-03-29 CN claimed
WO-2025003987-A1 NOVEL CARBOXAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 동화약품주식회사 2025-01-02 WO disclosed
CN-117794896-A Protease inhibitors for the treatment of coronavirus infections 斯克里普斯研究学院 2024-03-29 CN disclosed
CN-112299938-B Method for preparing amine compound by reducing amide compound 中国科学院兰州化学物理研究所 2021-12-28 CN disclosed
EP-3896065-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2021-10-20 EP disclosed
EP-3896066-A2 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2021-10-20 EP disclosed
US-10986840-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-04-27 US disclosed
CN-112299938-A Method for preparing amine compound by reducing amide compound 中国科学院兰州化学物理研究所 2021-02-02 CN disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-10667517-B2 2-(Het)aryl-substituted fused heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-06-02 US disclosed
US-20200029567-A1 2-(Het)aryl-substituted fused heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-20180271099-A1 2-(Het)aryl-substituted fused heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-27 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (9 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-10667517-B2 2-(Het)aryl-substituted fused heterocycle derivatives as pesticides CYP1A1, CYP8B1, CYP1B1 HTR2B 1705/4885KMT2A 2845/4885CYP2C19 451/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HTR2B 1922/4885KMT2A 921/4885CYP2C19 2941/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK HTR2B 1915/4885KMT2A 1345/4885CYP2C19 1846/4885
US-20200029567-A1 2-(Het)aryl-substituted fused heterocycle derivatives as pesticides CYP1A1, CYP8B1, CYP1B1 HTR2B 1705/4885KMT2A 2845/4885CYP2C19 451/4885
US-10986840-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides CYP1A1, CYP8B1, CYP1B1 HTR2B 1705/4885KMT2A 2845/4885CYP2C19 451/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HTR2B 1922/4885KMT2A 921/4885CYP2C19 2941/4885
US-20180271099-A1 2-(Het)aryl-substituted fused heterocycle derivatives as pesticides CYP1A1, CYP8B1, CYP1B1 HTR2B 1705/4885KMT2A 2845/4885CYP2C19 451/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HTR2B 1659/4885KMT2A 929/4885CYP2C19 2888/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HTR2B 1659/4885KMT2A 929/4885CYP2C19 2888/4885

“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.