SCHEMBL3386642

SCHEMBL3386642

O=C(Nc1ccc(-c2ccc3c(C(=O)NCCN4CCOCC4)n[nH]c3c2)cc1)c1cc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 4/20 0.54
DYRK1A Q13627 4/20 0.54
CD274 Q9NZQ7 2/20 0.52
LMNA P02545 3/20 0.46
ACKR3 P25106 1/20 0.45
MMP12 P39900 1/20 0.45
TACR2 P21452 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
DGAT1 O75907 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FLT3 P36888 1/20 0.44
PLD2 O14939 2/20 0.43
PLD1 Q13393 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL3384031 0.85 DYRK1A (0.54) WNT1DYRK1ACD274MMP12ALDH1A1
SCHEMBL3385697 0.80 PAK1 (0.53) DGAT1FLT3
SCHEMBL3384011 0.80 HDAC1 (0.51) LMNAKDM4EDGAT1FLT3KMT2A
SCHEMBL3387486 0.79 DYRK1A (0.54) WNT1DYRK1ACD274ALDH1A1FLT3
SCHEMBL3383191 0.79 WNT1 (0.55) WNT1DYRK1ALMNAALDH1A1KMT2A
SCHEMBL3384270 0.79 EPHX2 (0.56) WNT1DYRK1ACD274LMNAFLT3
SCHEMBL8739611 0.79 DYRK1A (0.52) WNT1DYRK1ACD274LMNAMMP12
Hydrochloric Acid SCHEMBL3386776 0.79 DYRK1A (0.53) WNT1DYRK1ACD274ALDH1A1FLT3
SCHEMBL3384030 0.77 DGAT1 (0.49) KDM4EALDH1A1DGAT1FLT3KMT2A
SCHEMBL7389168 0.75 WNT1 (0.67) WNT1DYRK1AKDM4EALDH1A1HSD17B10

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 7 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 claimed
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 claimed
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
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 WNT1 1160/4885DYRK1A 201/4885CD274 3567/4885

“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.