SCHEMBL3532098

SCHEMBL3532098

c1n[nH]c2cc3c(cc12)OCO3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.50
MAPK10 P53779 1/20 0.45
RIPK1 Q13546 1/20 0.45
PIM3 Q86V86 1/20 0.43
NOS1 P29475 5/20 0.42
METAP2 P50579 3/20 0.42
DYRK1A Q13627 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
CSNK2A1 P68400 1/20 0.42
ROCK2 O75116 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL15541079 0.88 CHEK1 (0.50) CHEK1MAPK10RIPK1NOS1METAP2
SCHEMBL4990505 0.76 PIM3 (0.47) MAPK10RIPK1PIM3
Indazole SCHEMBL4310146 0.73 HSP90AA1 (0.68) NOS1METAP2DYRK1AKDM4EMEN1
SCHEMBL22743873 0.71 CHEK1 (0.39) CHEK1MAPK10RIPK1NOS1METAP2
SCHEMBL26130820 0.71 CHEK1 (0.42) CHEK1MAPK10RIPK1NOS1METAP2
SCHEMBL10704493 0.69 CA2 (0.49) MAPK10RIPK1PIM3KDM4EMEN1
SCHEMBL22744430 0.69 CHEK1 (0.40) CHEK1MAPK10RIPK1NOS1METAP2
SCHEMBL29769140 0.69 CHEK1 (0.58) CHEK1NOS1METAP2DYRK1AKDM4E
SCHEMBL8404434 0.69 CHEK1 (0.58) CHEK1NOS1METAP2DYRK1AKDM4E
SCHEMBL9739358 0.68 CA2 (0.43) MAPK10RIPK1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP claimed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US claimed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 EP claimed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US disclosed
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP disclosed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US disclosed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK CHEK1 798/4885MAPK10 2611/4885RIPK1 3763/4885

“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.