SCHEMBL4229072

SCHEMBL4229072

COC(=O)CN1CCN(CCCOc2cc3ncnc(Nc4cccc(Br)c4)c3cc2OC)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.68
HDAC3 O15379 6/20 0.68
HDAC1 Q13547 6/20 0.68
HDAC6 Q9UBN7 6/20 0.68
HDAC4 P56524 4/20 0.68
HDAC7 Q8WUI4 4/20 0.68
HDAC2 Q92769 4/20 0.68
HDAC10 Q969S8 4/20 0.68
HDAC11 Q96DB2 4/20 0.68
HDAC8 Q9BY41 4/20 0.68
HDAC9 Q9UKV0 4/20 0.68
HDAC5 Q9UQL6 4/20 0.68
FBP1 P09467 2/20 0.65
EGFR P00533 12/20 0.65
SRC P12931 2/20 0.63
ERBB2 P04626 2/20 0.63
KDM4E B2RXH2 1/20 0.63
GAK O14976 1/20 0.63
MAPK13 O15264 1/20 0.63
ABL1 P00519 1/20 0.63

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
SCHEMBL4224173 1.00 KDR (0.68) KDRHDAC3HDAC1HDAC6HDAC4
SCHEMBL4222420 0.96 KDR (0.68) KDRHDAC3HDAC1HDAC6HDAC4
SCHEMBL4220778 0.96 KDR (0.68) KDRHDAC3HDAC1HDAC6HDAC4
SCHEMBL4222342 0.94 KDR (0.64) KDRHDAC3HDAC1HDAC6HDAC4
SCHEMBL4231033 0.94 KDR (0.64) KDRHDAC3HDAC1HDAC6HDAC4
SCHEMBL4230500 0.92 KDR (0.65) KDRHDAC3HDAC1HDAC6HDAC4
SCHEMBL4231638 0.92 KDR (0.65) KDRHDAC3HDAC1HDAC6HDAC4
SCHEMBL4230920 0.90 KDR (0.64) KDRHDAC3HDAC1HDAC6HDAC4
SCHEMBL4220706 0.90 KDR (0.64) KDRHDAC3HDAC1HDAC6HDAC4
SCHEMBL4226732 0.89 KDR (0.68) KDRHDAC3HDAC1HDAC6HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-13 US disclosed
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-03-23 US disclosed
EP-1163227-B1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-28 EP disclosed
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-28 US disclosed
EP-1163227-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 EP disclosed
WO-2000055141-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 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 (3 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-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM REN, APC, PKD1 KDR 3805/4885HDAC3 1230/4885HDAC1 1288/4885
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them REN, APC, PKD1 KDR 3805/4885HDAC3 1230/4885HDAC1 1288/4885
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, BDKRB1 KDR 4070/4885HDAC3 1205/4885HDAC1 1070/4885

“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.