SCHEMBL14818976

SCHEMBL14818976

Cc1cc(NCc2ccc(F)cc2)ncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
USP10 Q14694 1/20 0.49
PIK3C3 Q8NEB9 1/20 0.49
USP13 Q92995 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 2/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
TP53 P04637 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP2C19 P33261 2/20 0.47
HIF1A Q16665 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
JAK2 O60674 1/20 0.46

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
SCHEMBL14818979 0.84 MAP2K7 (0.45) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL10910530 0.83 CYP1A2 (0.64) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL19886457 0.81 CLK4 (0.52) ALDH1A1MEN1KMT2AHSD17B10HTT
SCHEMBL22191679 0.81 KDM4E (0.50) KDM4EALDH1A1HPGDUSP10PIK3C3
SCHEMBL14804662 0.80 ALDH1A1 (0.47) KDM4EALDH1A1HPGDUSP10PIK3C3
SCHEMBL8419134 0.77 MEN1 (0.72) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL14818974 0.75 MEN1 (0.60) KDM4EMEN1KMT2AHSD17B10HTT
SCHEMBL27991640 0.75 CYP1A2 (0.60) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL23291999 0.74 MPO (0.44) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL21672225 0.73 KDM4E (0.56) KDM4EALDH1A1HPGDMEN1KMT2A

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 KDM4E 700/4885ALDH1A1 1910/4885HPGD 2397/4885

“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.