SCHEMBL12707407

SCHEMBL12707407

Cc1ccncc1-c1cc(N)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.49
ABL1 P00519 2/20 0.46
ALDH1A1 P00352 2/20 0.45
CASP1 P29466 2/20 0.43
MAP4K1 Q92918 1/20 0.43
TDO2 P48775 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2E1 P05181 2/20 0.41
CYP2C8 P10632 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP17A1 P05093 2/20 0.41
TSHR P16473 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL7086302 0.89 ABL1 (0.44) PLA2G7ABL1ALDH1A1CASP1MAP4K1
SCHEMBL527609 0.87 ABL1 (0.45) ABL1ALDH1A1CASP1MAP4K1TDO2
SCHEMBL7082047 0.86 PLA2G7 (0.51) PLA2G7ABL1ALDH1A1MAP4K1TDO2
SCHEMBL12707404 0.86 PLA2G7 (0.44) PLA2G7ABL1ALDH1A1CASP1TDO2
SCHEMBL5687575 0.84 TSHR (0.50) ABL1CASP1MAP4K1TDO2CYP3A4
SCHEMBL2893826 0.82 PLA2G7 (0.60) PLA2G7ABL1ALDH1A1CASP1TDO2
SCHEMBL527190 0.82 CYP3A4 (0.48) PLA2G7ABL1MAP4K1TDO2CYP3A4
SCHEMBL3421743 0.81 TDO2 (0.49) ABL1TDO2CYP3A4CYP1A2CYP2E1
SCHEMBL31607621 0.81 PLA2G7 (0.65) PLA2G7ALDH1A1CASP1CYP3A4TSHR
SCHEMBL29988790 0.81 TDO2 (0.49) ABL1TDO2CYP3A4CYP1A2CYP2E1

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-20110082147-A1 SUBSTITUTED IMIDAZOTRIAZINES CONCERT PHARMACEUTICALS, INC. (US) 2011-04-07 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-20110082147-A1 SUBSTITUTED IMIDAZOTRIAZINES GABRA5, GABRA3, GABRA2 PLA2G7 1779/4885ABL1 480/4885ALDH1A1 881/4885

“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.