SCHEMBL646416

SCHEMBL646416

CC(C)(O)c1cccnc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.42
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
PLCG1 P19174 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
JAK2 O60674 1/20 0.34
GAA P10253 1/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MPI P34949 1/20 0.32
CA2 P00918 1/20 0.32
HSD11B1 P28845 1/20 0.32
P2RY1 P47900 1/20 0.32
TRPV1 Q8NER1 2/20 0.31
MAP4K4 O95819 1/20 0.31
MINK1 Q8N4C8 1/20 0.31

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
SCHEMBL2616434 0.83 NAPRT (0.41) NAPRTKCNA5KCNH2PLCG1KDM4E
SCHEMBL16472118 0.83 NAPRT (0.41) NAPRTKCNA5KCNH2PLCG1KDM4E
SCHEMBL2083721 0.77 P2RX7 (0.39) PLCG1L3MBTL1SMN1; SMN2KDM4EKMT2A
SCHEMBL22023658 0.76 NAPRT (0.36) NAPRTKCNA5KCNH2PLCG1SMN1; SMN2
SCHEMBL610024 0.76 EPHX2 (0.44) NAPRTKCNA5KCNH2KMT2AALDH1A1
SCHEMBL31009386 0.76 EPHX2 (0.44) NAPRTKCNA5KCNH2KMT2AALDH1A1
SCHEMBL1804567 0.75 TRIM24 (0.39) PLCG1L3MBTL1SMN1; SMN2GAAKDM4E
SCHEMBL21166180 0.75 CA2 (0.37) PLCG1L3MBTL1SMN1; SMN2GAAKDM4E
SCHEMBL1817604 0.75 NOS3 (0.48) NAPRTPLCG1L3MBTL1SMN1; SMN2GAA
SCHEMBL30137376 0.75 SMN1; SMN2 (0.42) PLCG1L3MBTL1SMN1; SMN2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203076-A1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION 2023-06-29 US disclosed
US-20230203076-A1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION 2023-06-29 US disclosed
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 US disclosed
US-20200347085-A1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION 2020-11-05 US disclosed
US-9975876-B2 2-pyridyloxy-3-ester-4-ether orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-05-22 US disclosed
US-9768397-B2 Phenylenediamine compounds for phosphorescent diazaborole metal complexes COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2017-09-19 US disclosed
US-9768397-B2 Phenylenediamine compounds for phosphorescent diazaborole metal complexes COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2017-09-19 US disclosed
US-9768397-B2 Phenylenediamine compounds for phosphorescent diazaborole metal complexes COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2017-09-19 US disclosed
EP-2927300-B1 PHENYLENEDIAMINE COMPOUNDS FOR PHOSPHORESCENT DIAZABOROLE METAL COMPLEXES COMMW SCIENT IND RES ORG (AU) 2016-11-16 EP disclosed
EP-2927300-B1 PHENYLENEDIAMINE COMPOUNDS FOR PHOSPHORESCENT DIAZABOROLE METAL COMPLEXES COMMW SCIENT IND RES ORG (AU) 2016-11-16 EP disclosed
US-20150280144-A1 PHENYLENEDIAMINE COMPOUNDS FOR PHOSPHORESCENT DIAZABOROLE METAL COMPLEXES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2015-10-01 US disclosed
US-20150280144-A1 PHENYLENEDIAMINE COMPOUNDS FOR PHOSPHORESCENT DIAZABOROLE METAL COMPLEXES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2015-10-01 US disclosed
WO-2015088864-A1 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-06-18 WO disclosed
WO-2014176144-A1 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-10-30 WO disclosed
US-8541444-B2 Triazolopyridine 11-beta hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-24 US disclosed
US-8119658-B2 Triazolopyridine 11-beta hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
US-20110288051-A1 TRIAZOLOPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 US disclosed
EP-2205598-A1 TRIAZOLOPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS Bristol-Myers Squibb Company (US) 2010-07-14 EP disclosed
US-20090093516-A1 TRIAZOLOPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-04-09 US disclosed
WO-2009045753-A1 TRIAZOLOPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-09 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 (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-10961238-B2 Modulators of hedgehog (Hh) signaling pathway SHH, GLI1, SMO NAPRT 3871/4885KCNA5 4795/4885KCNH2 4799/4885
US-20150280144-A1 PHENYLENEDIAMINE COMPOUNDS FOR PHOSPHORESCENT DIAZABOROLE METAL COMPLEXES DDT, PNMT, DDC NAPRT 941/4885KCNA5 1183/4885KCNH2 1003/4885
US-20090093516-A1 TRIAZOLOPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS HSD3B1, HSD11B1, HSD17B1 NAPRT 2560/4885KCNA5 1416/4885KCNH2 741/4885
US-20200347085-A1 Organic electroluminescent materials and devices SSB, ADORA3, SNRPA1 NAPRT 2918/4885KCNA5 1403/4885KCNH2 1246/4885
US-20110288051-A1 TRIAZOLOPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS HSD3B1, HSD11B1, HSD17B1 NAPRT 2560/4885KCNA5 1416/4885KCNH2 741/4885
US-20230203076-A1 Organic electroluminescent materials and devices SSB, ADORA3, SNRPA1 NAPRT 2918/4885KCNA5 1403/4885KCNH2 1246/4885

“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.