SCHEMBL14868720

SCHEMBL14868720

Cc1cnc(Cl)cc1N[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
AHR P35869 1/20 0.32
ALDH1A1 P00352 6/20 0.31
GAA P10253 3/20 0.31
HTT P42858 1/20 0.31
THRB P10828 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL6313709 0.82 CHRNB2 (0.38) CHRNB2CHRNA4KMT2AMEN1AHR
SCHEMBL2371062 0.79 CHRNB2 (0.36) CHRNB2CHRNA4KMT2AMEN1AHR
SCHEMBL31523267 0.75 MAPK1 (0.41) KMT2AMEN1ALDH1A1GAAHTT
SCHEMBL16187963 0.74 ALDH1A1 (0.36) CHRNB2CHRNA4ALDH1A1GAAKCNQ3
SCHEMBL30749766 0.73 TSHR (0.43) AHRALDH1A1GAA
SCHEMBL2669593 0.73 TSHR (0.43) AHRALDH1A1GAA
SCHEMBL20772451 0.72 MEN1 (0.46) KMT2AMEN1AHRPOLB
SCHEMBL29987444 0.71 TSHR (0.42) AHRALDH1A1GAA
SCHEMBL26383745 0.70 PIK3CA (0.46) ALDH1A1
SCHEMBL25604920 0.70 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1HTTTHRB

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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 CHRNB2 1431/4885CHRNA4 1139/4885KMT2A 2005/4885

“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.