SCHEMBL3384140

SCHEMBL3384140

CNC(=O)c1n[nH]c2cc(-c3ccc([N+](=O)[O-])cc3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 5/20 0.58
JAK2 O60674 3/20 0.57
JAK1 P23458 3/20 0.57
TYK2 P29597 3/20 0.57
JAK3 P52333 3/20 0.57
YTHDC1 Q96MU7 1/20 0.52
KCNH2 Q12809 1/20 0.46
DYRK1A Q13627 1/20 0.44
CYP1A2 P05177 1/20 0.44
GSK3B P49841 1/20 0.44
CSNK2A1 P68400 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CHEK1 O14757 1/20 0.42
MAP2K7 O14733 1/20 0.41
FLT3 P36888 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
LMNA P02545 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
SCHEMBL3384680 0.85 PRKAG1 (0.49) JAK2DYRK1ACYP1A2GSK3BMEN1
SCHEMBL3382223 0.82 PAK1 (0.62) PAK1JAK2JAK1TYK2JAK3
SCHEMBL2472386 0.82 CSNK2A1 (0.60) PAK1JAK2JAK1TYK2JAK3
SCHEMBL6478420 0.76 JAK2 (0.62) JAK2JAK3ABL1BCRLMNA
SCHEMBL8597936 0.74 MAP2K7 (0.48) CSNK2A1MEN1GAAKMT2AMAP2K7
SCHEMBL6486431 0.74 GSK3B (0.73) CYP1A2GSK3B
SCHEMBL23166070 0.74 PAK1 (0.56) PAK1JAK2JAK1TYK2JAK3
SCHEMBL29850473 0.74 PAK1 (0.56) PAK1JAK2JAK1TYK2JAK3
SCHEMBL1176227 0.73 MAPT (0.50) CSNK2A1MEN1GAAKMT2AMAP2K7
SCHEMBL21811353 0.73 IDO1 (0.64) PAK1JAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754209-B2 Indazole derivatives or pharmaceutically acceptable salts thereof as protein kinase inhibitors for proliferative diseases treatment, and a pharmaceutical composition containing the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-06-17 US disclosed
US-8754209-B2 Indazole derivatives or pharmaceutically acceptable salts thereof as protein kinase inhibitors for proliferative diseases treatment, and a pharmaceutical composition containing the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-06-17 US disclosed
US-20120130069-A1 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-05-24 US disclosed
US-20120130069-A1 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-05-24 US disclosed
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 WO disclosed
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 WO 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-20120130069-A1 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT RAF1, RET, KDR PAK1 224/4885JAK2 410/4885JAK1 292/4885

“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.