SCHEMBL14804663

SCHEMBL14804663

CC(C)c1cc(NCc2ccc(F)c(F)c2)nc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
HRH4 Q9H3N8 11/20 0.44
HTR1B P28222 1/20 0.43
HTR2B P41595 1/20 0.43
GPR65 Q8IYL9 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GPR68 Q15743 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS2 P35354 1/20 0.39
PIM1 P11309 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL14804661 0.86 HRH4 (0.56) SMN1; SMN2HRH4HRH3MEN1KMT2A
SCHEMBL14818977 0.82 MEN1 (0.58) SMN1; SMN2HRH4HRH3GPR68MEN1
SCHEMBL12069796 0.81 SMN1; SMN2 (0.62) SMN1; SMN2HRH4MEN1KMT2APTGS2
SCHEMBL14804660 0.78 MAP2K7 (0.43) PIM1DYRK1ACLK4
SCHEMBL12268319 0.74 HRH4 (0.44) HRH4HTR1BHTR2BGPR65HRH3
SCHEMBL14804484 0.72 PTGS2 (0.37) MEN1KMT2APTGS2
SCHEMBL14804485 0.68 CYP1A2 (0.43) SMN1; SMN2MEN1KMT2ACLK4
SCHEMBL20919214 0.68 NUDT1 (0.52) HRH4HRH3
SCHEMBL14818974 0.68 MEN1 (0.60) SMN1; SMN2HRH4HRH3MEN1KMT2A
SCHEMBL15417803 0.68 AURKA (0.45) MEN1KMT2ADYRK1ACLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623857-B2 N-phenyl imidazole carboxamide inhibitors of 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
US-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME CORP. 2013-03-28 US 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-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 PDPK1, PDK1, PDK3 SMN1; SMN2 3875/4885HRH4 1463/4885HTR1B 2051/4885

“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.