SCHEMBL15910792

SCHEMBL15910792

[2H]C([2H])([2H])C([2H])([2H])n1ncc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.64
CYP1A2 P05177 1/20 0.40
CYP19A1 P11511 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 6/20 0.38
POLB P06746 2/20 0.38
MAOB P27338 1/20 0.38
NOS1 P29475 1/20 0.38
KDR P35968 1/20 0.38
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
SLC6A2 P23975 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
CYP2D6 P10635 1/20 0.36
ATM Q13315 1/20 0.36
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL5347812 0.83 GLS (0.70) GLSCYP1A2CYP19A1NPC1MAPT
SCHEMBL2933655 0.81 GLS (0.75) GLSCYP1A2CYP19A1NPC1MAPT
SCHEMBL10982770 0.80 GLS (0.70) GLSCYP1A2CYP19A1NPC1MAPT
SCHEMBL31304655 0.80 GLS (0.65) GLSCYP1A2CYP19A1NPC1MAPT
SCHEMBL17060346 0.80 GLS (0.65) GLSCYP1A2CYP19A1NPC1MAPT
SCHEMBL5445380 0.80 GLS (0.65) GLSCYP1A2CYP19A1NPC1MAPT
SCHEMBL205479 0.78 GLS (0.64) GLSCYP1A2CYP19A1NPC1MAPT
SCHEMBL14928249 0.78 GLS (0.75) GLSCYP1A2CYP19A1MAPTPOLB
SCHEMBL4023710 0.78 GLS (0.67) GLSCYP1A2CYP19A1NPC1MAPT
SCHEMBL11002083 0.78 GLS (0.67) GLSCYP19A1MAPTPOLBMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145414-B2 1,2,4-triazine-6-carboxamide derivative TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-29 US disclosed
US-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-11-20 US disclosed
EP-2762476-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2014-08-06 EP 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-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE SYK, BTK, JAK2 GLS 2437/4885CYP1A2 2854/4885CYP19A1 2474/4885

“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.