SCHEMBL14005644

SCHEMBL14005644

O=C(O)Cc1c(-c2cccnc2)nc2ccccn12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
NTRK1 P04629 2/20 0.47
SLC2A1 P11166 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
RAD51 Q06609 1/20 0.44
STAT3 P40763 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6686729 0.88 NTRK1 (0.58) KDM4EGAANTRK1SLC2A1CYP1A2
SCHEMBL8208 0.79 KDM4E (0.64) KDM4EGAASLC2A1SMN1; SMN2NPC1
SCHEMBL14005645 0.78 MAPK1 (0.48) MAPK1KDM4EGAANTRK1CYP1A2
SCHEMBL13341895 0.77 NPC1 (0.56) KDM4EGAANTRK1SLC2A1CYP1A2
SCHEMBL13341887 0.77 SMN1; SMN2 (0.56) KDM4ENTRK1SLC2A1CYP1A2CYP2C9
SCHEMBL7096969 0.77 NTRK1 (0.56) KDM4EGAANTRK1SLC2A1CYP1A2
SCHEMBL22780401 0.75 NTRK1 (0.57) KDM4EGAANTRK1SLC2A1CYP1A2
SCHEMBL13341897 0.74 GABRB2 (0.62) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL13341900 0.74 ALDH1A1 (0.61) KDM4ENTRK1CYP1A2CYP2C9CYP2C19
SCHEMBL1730262 0.73 MARK4 (0.52) MAPK1KDM4EGAANTRK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293947-A1 Method of Preparation for Imidazolepyridines MALLINCKRODT INC. 2008-11-27 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-20080293947-A1 Method of Preparation for Imidazolepyridines ITPA, QDPR, NISCH MAPK1 2042/4885KDM4E 1146/4885GAA 2565/4885

“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.