SCHEMBL15910992

SCHEMBL15910992

CCn1cc2cc([N+](=O)[O-])cc(Br)c2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 7/20 0.39
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.37
POLB P06746 3/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 1/20 0.35
ESPL1 Q14674 1/20 0.35
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHEK1 O14757 1/20 0.33
DAPK3 O43293 1/20 0.33
GRK5 P34947 1/20 0.33
LIMK1 P53667 1/20 0.33
GLA P06280 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL30506082 0.83 PABPC1 (0.41) NQO2ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL31217375 0.82 NQO2 (0.41) NQO2ATMALDH1A1MAPTKDM4E
SCHEMBL28548918 0.81 IRAK4 (0.39) NQO2ATMALDH1A1MAPTL3MBTL1
SCHEMBL15910493 0.81 MAPT (0.51) NQO2ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL25592539 0.79 NQO2 (0.36) NQO2ATMALDH1A1MAPTCYP3A4
SCHEMBL15910682 0.77 NQO2 (0.43) NQO2ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL18638439 0.74 MAPT (0.50) ATMALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL31217426 0.73 NQO2 (0.43) NQO2ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL18896263 0.71 MAPT (0.66) ATMALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL20604751 0.69 KDM4E (0.47) ALDH1A1MAPTKDM4EPOLBNPC1

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 NQO2 3522/4885ATM 2581/4885ALDH1A1 3232/4885

“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.