SCHEMBL15910523

SCHEMBL15910523

Cn1cc2c([N+](=O)[O-])cc(Br)cc2n1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.69
▸ ALDH1A1 P00352 2/20 0.69
▸ POLB P06746 2/20 0.69
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ AKR1B1 P15121 1/20 0.38
▸ LMNA P02545 4/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ERN1 O75460 2/20 0.37
▸ HTT P42858 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ S100A4 P26447 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ CTSB P07858 1/20 0.34
▸ GALR2 O43603 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
SCHEMBL29002932 0.81 MAPT (0.69) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL27228473 0.81 MAPT (0.69) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL22411903 0.80 ALDH1A1 (0.64) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL22412160 0.77 MAPT (0.64) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL27222362 0.74 MAPT (0.45) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL21273349 0.74 MAPT (0.53) MAPTALDH1A1POLBKMT2ALMNA
SCHEMBL17102297 0.74 MAPT (0.44) MAPTALDH1A1POLBLMNAHTT
SCHEMBL17115169 0.74 MAPT (0.40) MAPTALDH1A1POLBL3MBTL1KDM4E
SCHEMBL22412074 0.74 MAPT (0.59) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL4719658 0.73 ALDH1A1 (0.59) MAPTALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 — — US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 — — WO disclosed
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 (2 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 4663/4885ALDH1A1 3232/4885POLB 4824/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 MAPT 623/4885ALDH1A1 4623/4885POLB 2276/4885

“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.

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