SCHEMBL2552113

SCHEMBL2552113

COC(=O)c1c2ccccc2nn1CCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
DRD2 P14416 3/20 0.45
BRD4 O60885 5/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR2 P34972 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
SCHEMBL31357734 0.93 DRD2 (0.47) BCHEDRD2BRD4CNR2
SCHEMBL31357676 0.90 BCHE (0.47) BCHEDRD2BRD4MEN1NPC1
SCHEMBL31430180 0.85 BRD4 (0.40) DRD2BRD4
SCHEMBL26696082 0.85 BRD4 (0.47) DRD2BRD4NPC1RAB9A
SCHEMBL31430434 0.85 EGFR (0.41) BCHEDRD2BRD4
SCHEMBL31357648 0.83 BCHE (0.46) BCHEDRD2BRD4MEN1NPC1
SCHEMBL27882435 0.81 BCHE (0.46) BCHEDRD2BRD4MEN1NPC1
SCHEMBL31357775 0.80 PLAU (0.47) DRD2BRD4CNR2
SCHEMBL23786629 0.78 DRD2 (0.39) DRD2CNR2
SCHEMBL29092663 0.76 BRD4 (0.47) BRD4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119241440-A Indazole benzoic acid derivative containing urea structure and preparation method and application thereof 沈阳药科大学 2025-01-03 CN disclosed
US-9655906-B2 Tricyclic indazole compound, method of preparation and pharmaceutical composition containing it AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-05-23 US disclosed
US-20150320763-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F S.P.A. (IT) 2015-11-12 US disclosed
US-9120801-B2 Tricyclic indazole compound, method of preparation and pharmaceutical composition containing it AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2015-09-01 US disclosed
EP-2556074-B1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT ACRAF (IT) 2015-01-21 EP disclosed
EP-2556074-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO - A.C.R.A.F. - S.p.A. (IT) 2013-02-13 EP disclosed
US-20130023524-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R. (IT) 2013-01-24 US disclosed
WO-2011124430-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2011-10-13 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 (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-20130023524-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT CYP3A43, CYP3A4, CYP3A5 BCHE 1414/4885DRD2 1140/4885BRD4 1028/4885
US-20150320763-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT CYP3A43, CYP3A4, CYP3A5 BCHE 1414/4885DRD2 1140/4885BRD4 1028/4885

“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.