SCHEMBL2198117

SCHEMBL2198117

Cc1nc(C(F)(F)F)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ADRB2 P07550 2/20 0.33
ADRA2A P08913 1/20 0.33
HTR2C P28335 1/20 0.33
AXL P30530 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
HTR6 P50406 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
FABP4 P15090 1/20 0.31
HSD17B10 Q99714 1/20 0.30
ADRB1 P08588 1/20 0.30

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
SCHEMBL9392467 0.82 KDM4E (0.31) MAPTKDM4EPOLBHPGD
SCHEMBL179502 0.78
SCHEMBL19059659 0.74 ALDH1A1 (0.31)
SCHEMBL18214809 0.74
SCHEMBL2161282 0.73 NPSR1 (0.33) HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL28561916 0.73 HPGD (0.33) HSP90AA1HSP90AB1MAPTKDM4EHPGD
SCHEMBL22541579 0.73 HSP90AA1 (0.31) HSP90AA1HSP90AB1
SCHEMBL25791857 0.71 NT5E (0.32) KDM4E
SCHEMBL26500656 0.71
SCHEMBL9981270 0.71 TRPV4 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113745539-B Fluorine-containing non-noble metal oxygen reduction electrocatalyst and preparation method and application thereof 大连理工大学 2022-11-22 CN claimed
CN-113745539-A Fluorine-containing non-noble metal oxygen reduction electrocatalyst and preparation method and application thereof 大连理工大学 2021-12-03 CN claimed
CN-102698819-B Deacidification agent applied to methyl tert-butyl ether (MTBE) production device and preparation method for deacidification agent KAIRUI CHEMICAL CO LTD 2014-02-19 CN claimed
CN-103224535-A Metal or ligand replacement method for construction of mixed metal or mixed ligand zeolitic imidazolate frameworks (ZIFs) DALIAN CHEMICAL PHYSICS INST 2013-07-31 CN claimed
CN-102698819-A Deacidification agent applied to methyl tert-butyl ether (MTBE) production device and preparation method for deacidification agent KAIRUI CHEMICAL CO LTD 2012-10-03 CN claimed
JP-2002517459-A 2002-06-18 JP claimed
JP-2002517460-A 2002-06-18 JP claimed
EP-1019075-A4 $g(b)2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-12-13 EP claimed
EP-1019360-A1 $g(b)2-ADRENERGIC RECEPTOR AGONISTS Advanced Medicine, Inc. (US) 2000-07-19 EP claimed
EP-1019075-A1 $g(b)2-ADRENERGIC RECEPTOR AGONISTS Advanced Medicine, Inc. (US) 2000-07-19 EP claimed
EP-1019360-A4 $g(b)2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-07-19 EP claimed
WO-1999064035-A9 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-07-06 WO claimed
WO-1999064034-A9 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-06-29 WO claimed
WO-1999064031-A9 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-05-04 WO claimed
WO-1999064034-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO claimed
WO-1999064035-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO claimed
US-20240327410-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2024-10-03 US disclosed
US-20240246960-A1 7-Morpholino-L,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2024-07-25 US disclosed
WO-1999064031-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1994021606-A1 PENTAFLUOROSULPHANYLPHENYL AND PENTAFLUOROSULPHANYLPYRIDIL SUBSTITUTED HETEROAROMATIC COMPOUNDS WITH INSECTICIDAL OR ACARICIDAL ACTIVITY ZENECA LIMITED (GB) 1994-09-29 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 (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-20240246960-A1 7-Morpholino-L,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor DCK, ERCC2, POLK HSP90AA1 1901/4885HSP90AB1 1551/4885MAPT 4225/4885
US-20240327410-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HSP90AA1 2117/4885HSP90AB1 1909/4885MAPT 2188/4885

“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.