SCHEMBL15775457

SCHEMBL15775457

N#C[CH]c1ccc(OC(F)(F)F)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
PIM1 P11309 1/20 0.38
MAPK8 P45983 2/20 0.38
GAA P10253 5/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SLC6A2 P23975 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
SCN4A P35499 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL15797861 0.79 CHEK1 (0.41) CHEK1PIM1MAPK8GAANPC1
SCHEMBL15775922 0.78 CES2 (0.42) SMN1; SMN2HSD17B10ALDH1A1KDM4EKMT2A
SCHEMBL6518415 0.77 CHEK1 (0.49) CHEK1PIM1MAPK8GAASLC6A2
SCHEMBL4091950 0.74 CHEK1 (0.47) CHEK1PIM1MAPK8GAANPC1
SCHEMBL9372777 0.74 P2RX1 (0.47) CHEK1PIM1MAPK8GAASLC6A2
SCHEMBL13407882 0.74 CHEK1 (0.47) CHEK1PIM1MAPK8GAASLC6A2
SCHEMBL30468358 0.74 CHEK1 (0.47) CHEK1PIM1MAPK8GAASLC6A2
SCHEMBL15775940 0.74 PARP10 (0.51) GAANPC1RAB9ACHEK2KDM4E
SCHEMBL12095523 0.73 CHEK1 (0.46) CHEK1PIM1MAPK8GAASLC6A2
SCHEMBL15775633 0.73 DGAT1 (0.46) GAACYP1A2CYP3A4CYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 US claimed
EP-2925746-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-10-07 EP claimed
WO-2014086663-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO claimed
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 US disclosed
EP-2925746-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-10-07 EP disclosed
WO-2014086663-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 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-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS HDAC7, PSMB7, IKZF3 CHEK1 3294/4885PIM1 1675/4885MAPK8 1877/4885

“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.