SCHEMBL3618586

SCHEMBL3618586

COc1nc(-c2c[nH]c3ccccc23)cnc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.52
CDK5 Q00535 2/20 0.52
CDK5R1 Q15078 2/20 0.52
GSK3B P49841 2/20 0.52
DYRK1A Q13627 2/20 0.52
MAP3K14 Q99558 2/20 0.52
MAPT P10636 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
THRB P10828 2/20 0.50
ALOX15 P16050 1/20 0.50
PPARG P37231 1/20 0.50
RAB9A P51151 1/20 0.50
NCOA2 Q15596 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PDGFRB P09619 7/20 0.47
PDGFRA P16234 2/20 0.47

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
SCHEMBL20017671 0.75 CLK1 (0.58) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL10305052 0.75 ATR (0.50) MAPTALDH1A1KDM4EHSD17B10KDR
SCHEMBL27361882 0.74 CLK1 (0.59) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL14406351 0.73 SSTR2 (0.57) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL822535 0.73 CLK1 (0.49) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL2581392 0.72 MAPT (0.51) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25034156 0.72 MAPT (0.57) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL25034155 0.70 PDGFRB (0.57) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL4398433 0.69 MAPT (0.62) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL29488162 0.69 GSK3B (1.00) CLK1CDK5CDK5R1GSK3BDYRK1A

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-20100048596-A2 Indole Derivatives as Antitumoral Compounds PHARMA MAR, S.A. (ES) 2010-02-25 US disclosed
US-20090124647-A1 Indole Derivatives as Antitumoral Compounds PHARMA MAR, S.A. (ES) 2009-05-14 US disclosed
EP-1951711-A1 INDOLE DERIVATIVES AS ANTITUMOURAL COMPOUNDS Pharma Mar, S.A. (ES) 2008-08-06 EP disclosed
WO-2007054748-A1 INDOLE DERIVATIVES AS ANTITUMOURAL COMPOUNDS PHARMA MAR, S.A. (ES) 2007-05-18 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-20090124647-A1 Indole Derivatives as Antitumoral Compounds NPR3, IDO1, ADORA3 CLK1 3221/4885CDK5 1324/4885CDK5R1 1300/4885
US-20100048596-A2 Indole Derivatives as Antitumoral Compounds NPR3, IDO1, ADORA3 CLK1 3221/4885CDK5 1324/4885CDK5R1 1300/4885

“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.