SCHEMBL6533040

SCHEMBL6533040

CN(C)c1ccc(C#Cc2n[nH]c3cc(/C=C4\C(=O)Nc5ccccc54)ccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.59
MAPT P10636 6/20 0.59
SNCA P37840 5/20 0.59
PDGFRB P09619 5/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 2/20 0.59
KMT2A Q03164 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
CTRC Q99895 2/20 0.59
NPC1 O15118 1/20 0.59
GMNN O75496 1/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
MTOR P42345 1/20 0.59
RAB9A P51151 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL3413654 1.00 APP (0.59) APPMAPTSNCAPDGFRBMEN1
SCHEMBL12848488 0.84 APP (0.65) APPMAPTSNCAPDGFRBMEN1
SCHEMBL3714743 0.83 MAPT (0.54) APPMAPTSNCAPDGFRBMAPK1
SCHEMBL3714747 0.83 MAPT (0.54) APPMAPTSNCAPDGFRBMAPK1
SCHEMBL586161 0.80 PLK4 (0.49) APPMAPTSNCAPDGFRBMEN1
SCHEMBL586552 0.80 PLK4 (0.49) APPMAPTSNCAPDGFRBMEN1
SCHEMBL1982207 0.76 APP (1.00) APPMAPTSNCAPDGFRBMEN1
SCHEMBL644678 0.76 APP (1.00) APPMAPTSNCAPDGFRBMEN1
SCHEMBL29363540 0.76 APP (1.00) APPMAPTSNCAPDGFRBMEN1
SCHEMBL13394695 0.76 APP (1.00) APPMAPTSNCAPDGFRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765748-B2 Indazolyl, benzimidazolyl, benzotriazolyl substituted indolinone derivatives as kinase inhibitors useful in the treatment of cancer UNIVERSITY HEALTH NETWORK (CA) 2014-07-01 US disclosed
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK 2011-03-17 US 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-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER TNNI3K, ABL1, TK1 APP 4843/4885MAPT 964/4885SNCA 4486/4885

“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.