SCHEMBL5876421

SCHEMBL5876421

Nc1n[nH]c2c1C=CC(c1ccccc1)(c1cccc(F)c1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
KDM1A O60341 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
HSD11B1 P28845 1/20 0.32
DPP4 P27487 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
MAP4K4 O95819 1/20 0.30
CSF1R P07333 1/20 0.30
FGFR1 P11362 1/20 0.30
PDGFRA P16234 1/20 0.30

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
SCHEMBL5878062 0.96 KDM1A (0.36) BACE1KDM1AMEN1GAAMAPT
SCHEMBL5877250 0.89 NPY5R (0.32) MEN1MAPTKMT2AMAP4K4CSF1R
SCHEMBL5876464 0.89 MAP4K4 (0.33) BACE1GAAMAPTKMT2AMAP4K4
SCHEMBL5876283 0.87
SCHEMBL6795936 0.85 HTR7 (0.39) BACE1KDM1AOPRM1OPRD1OPRK1
SCHEMBL5876460 0.83 MEN1 (0.33) MEN1MAPTKMT2AMAP4K4CSF1R
SCHEMBL6806952 0.83 MAP2K4 (0.40) BACE1KDM1AOPRM1OPRD1OPRK1
SCHEMBL5876439 0.83 OPRM1 (0.31) BACE1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5876380 0.83 BACE1 (0.40) BACE1KDM1AGAAOPRM1OPRD1
SCHEMBL5876989 0.83 NOTUM (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 US disclosed
EP-1414805-A1 INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY Aventis Pharma S.A. (FR) 2004-05-06 EP disclosed
WO-2003011833-A1 INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY AVENTIS PHARMA S.A. (FR) 2003-02-13 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 (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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT BACE1 3140/4885KDM1A 1958/4885MEN1 548/4885

“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.