SCHEMBL5877379

SCHEMBL5877379

COc1cc(C2(c3ccccc3)C=Cc3c(C#N)n[nH]c3C2)cc(OC)c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 3/20 0.34
GAA P10253 4/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 2/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL5876406 0.92 ALDH1A1 (0.35) ADORA1ADORA2AGAAMAPTSMN1; SMN2
SCHEMBL5876841 0.86
SCHEMBL5877129 0.86 ERBB2 (0.33) USP7
SCHEMBL5877439 0.85 OPRM1 (0.36) ADORA1ADORA2AGAAMAPTPOLB
SCHEMBL5877119 0.84 SHMT1 (0.38) ADORA1ADORA2AGAAMAPTSMN1; SMN2
SCHEMBL5877893 0.84 ACHE (0.35) ADORA1ADORA3ADORA2AGAAMAPT
SCHEMBL6802423 0.83 ADORA1 (0.42) ADORA1ADORA3ADORA2AACHEKDM4E
SCHEMBL5876734 0.81 SHMT1 (0.39) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5877383 0.80
SCHEMBL5876607 0.80 ALPL (0.34) GAAMAPTPOLBSMN1; SMN2KDM4E

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 ADORA1 425/4885ADORA3 268/4885ADORA2A 544/4885

“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.