SCHEMBL13630753

SCHEMBL13630753

c1cncc(COCOCc2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CHRNB2 P17787 5/20 0.51
CHRNA4 P43681 5/20 0.51
CHRM2 P08172 2/20 0.51
CHRM1 P11229 2/20 0.51
CHRM3 P20309 2/20 0.51
CHRNA7 P36544 2/20 0.50
HSD11B1 P28845 1/20 0.48
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
CYP2A6 P11509 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH1 P35367 1/20 0.44

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
SCHEMBL493020 0.91 CYP1A2 (0.56) CYP1A2CYP2D6CHRNB2CHRNA4CHRM2
Hydrochloric Acid SCHEMBL27794086 0.89 CYP1A2 (0.54) CYP1A2CYP2D6CHRNB2CHRNA4CHRM2
SCHEMBL10379094 0.88 CHRM2 (0.52) CYP1A2CYP2D6CHRNB2CHRNA4CHRM2
SCHEMBL24882621 0.84 CHRM2 (0.49) CYP1A2CYP2D6CHRNB2CHRNA4CHRM2
SCHEMBL13630752 0.83 CHRNB2 (0.49) CYP1A2CYP2D6CHRNB2CHRNA4CHRM2
SCHEMBL9627390 0.83 CHRNB2 (0.49) CYP1A2CYP2D6CHRNB2CHRNA4CHRM2
SCHEMBL4726906 0.83 CHRNB2 (0.49) CYP1A2CYP2D6CHRNB2CHRNA4CHRM2
SCHEMBL16215605 0.83 CHRNB2 (0.49) CYP1A2CYP2D6CHRNB2CHRNA4CHRM2
SCHEMBL774717 0.83 CHRNB2 (0.52) CYP1A2CYP2D6CHRNB2CHRNA4CHRM2
SCHEMBL8635320 0.81 HSD11B1 (0.51) CYP1A2CHRNB2CHRNA4CHRM2CHRM1

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-7612097-B2 Method for producing bactericidal pyridine compound and bactericidal pyridine compound TAMA KAGAKU KOGYO CO., LTD. (JP) 2009-11-03 US disclosed
US-20070099961-A1 Method for producing bactericidal pyridine compound and bactericidal pyridine compound Kourai, Hiroki (JP) 2007-05-03 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-20070099961-A1 Method for producing bactericidal pyridine compound and bactericidal pyridine compound BLVRB, CBR3, TLR7 CYP1A2 1107/4885CYP2D6 678/4885CHRNB2 4084/4885

“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.