SCHEMBL16198250

SCHEMBL16198250

CC(C)(O)c1ccnc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
TNIK Q9UKE5 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
AAK1 Q2M2I8 1/20 0.31
NAPRT Q6XQN6 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
SCHEMBL11954930 0.83 ALOX5AP (0.34) AAK1
SCHEMBL30007751 0.80 GPBAR1 (0.34) MAP4K4MINK1TNIKHCRTR1HCRTR2
SCHEMBL2651520 0.80 GPBAR1 (0.34) MAP4K4MINK1TNIKHCRTR1HCRTR2
SCHEMBL24783824 0.77 KDM4E (0.36) MAP4K4MINK1TNIK
SCHEMBL24140202 0.76 MEN1 (0.34) AAK1
SCHEMBL11099450 0.76 AAK1 (0.35) AAK1
SCHEMBL646416 0.75 NAPRT (0.42) MAP4K4MINK1TNIKNAPRT
SCHEMBL30007231 0.74 BCHE (0.40)
SCHEMBL25686895 0.74 BCHE (0.40)
SCHEMBL30007243 0.71 KMO (0.38) MAP4K4MINK1TNIKAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725434-B2 Hydroxy-substituted orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-9725434-B2 Hydroxy-substituted orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-9725434-B2 Hydroxy-substituted orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-20160068510-A1 HYDROXY-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US disclosed
US-20160068510-A1 HYDROXY-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US disclosed
US-20160068510-A1 HYDROXY-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US disclosed
EP-2988748-A1 HYDROXY-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2016-03-02 EP disclosed
WO-2014176142-A1 HYDROXY-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-10-30 WO disclosed
WO-2014176142-A1 HYDROXY-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-10-30 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 (1 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-20160068510-A1 HYDROXY-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CRHR1 MAP4K4 4390/4885MINK1 3464/4885TNIK 4741/4885

“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.