SCHEMBL21363857

SCHEMBL21363857

N#Cc1cccc(-c2ncccc2-c2ccc3nc[nH]c3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.60
QPCT Q16769 3/20 0.48
QPCTL Q9NXS2 2/20 0.48
CLK4 Q9HAZ1 1/20 0.45
TDO2 P48775 1/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
PRKCI P41743 1/20 0.42
IDO1 P14902 2/20 0.40
ACVR1 Q04771 1/20 0.40
KCNN4 O15554 1/20 0.40
KCNA5 P22460 1/20 0.40
MAP4K4 O95819 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
USP30 Q70CQ3 1/20 0.39
NEK1 Q96PY6 1/20 0.39

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
SCHEMBL15638693 0.82 QPCT (0.51) ADORA2AQPCTQPCTLALOX5APFEN1
SCHEMBL16473301 0.82 QPCT (0.51) ADORA2AQPCTQPCTLTDO2ALOX5AP
SCHEMBL15639302 0.79 QPCT (0.48) ADORA2AQPCTQPCTLALOX5APFEN1
SCHEMBL15638995 0.78 QPCT (0.47) ADORA2AQPCTQPCTLALOX5APFEN1
SCHEMBL15637546 0.78 ADORA2A (0.57) ADORA2ACLK4TDO2KCNN4KCNA5
SCHEMBL22246315 0.76 ADORA2A (0.69) ADORA2AQPCTQPCTLTDO2PRKCI
SCHEMBL15637746 0.76 ADORA2A (0.59) ADORA2ACLK4
SCHEMBL30117520 0.76 RAF1 (0.44) ADORA2ACLK4TDO2IDO1KCNN4
SCHEMBL15639677 0.76 RAF1 (0.44) ADORA2ACLK4TDO2IDO1KCNN4
SCHEMBL15640015 0.75 ALOX5AP (0.51) ADORA2AQPCTQPCTLALOX5APFEN1

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-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2019-09-19 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-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 ADORA2A 1392/4885QPCT 2031/4885QPCTL 3829/4885

“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.