SCHEMBL15910643

SCHEMBL15910643

CC(C)(C)n1cc2ccc([N+](=O)[O-])cc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 4/20 0.57
MEN1 O00255 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
KMT2A Q03164 3/20 0.57
NFKB1 P19838 1/20 0.57
CASP3 P42574 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL31304659 0.88 MAPT (0.50) MAPTSMN1; SMN2LMNAMEN1NPC1
SCHEMBL2103993 0.80 MAPT (1.00) MAPTSMN1; SMN2LMNAMEN1NPC1
SCHEMBL2932049 0.76 MAPT (0.67) MAPTSMN1; SMN2LMNAMEN1NPC1
SCHEMBL18896263 0.76 MAPT (0.66) MAPTSMN1; SMN2LMNAMEN1NPC1
SCHEMBL12251001 0.76 MAPT (0.66) MAPTSMN1; SMN2LMNAMEN1NPC1
SCHEMBL31324654 0.74 MAPT (0.63) MAPTSMN1; SMN2LMNAMEN1NPC1
SCHEMBL30833761 0.74 MAPT (0.62) MAPTSMN1; SMN2LMNAMEN1NPC1
SCHEMBL21316559 0.74 MAPT (0.67) MAPTSMN1; SMN2LMNAMEN1NPC1
SCHEMBL15910574 0.73 MAPT (0.61) MAPTSMN1; SMN2LMNAMEN1NPC1
SCHEMBL22872524 0.73 MAPT (0.47) MAPTSMN1; SMN2LMNAMEN1NPC1

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 MAPT 4663/4885SMN1; SMN2 4111/4885LMNA 4412/4885

“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.