SCHEMBL4224657

SCHEMBL4224657

CCOC(=O)CN(C)CCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCN(C)CC(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.67
▸ FBP1 P09467 4/20 0.64
▸ ERBB2 P04626 5/20 0.63
▸ ERBB4 Q15303 2/20 0.63
▸ KDR P35968 5/20 0.61
▸ HDAC3 O15379 4/20 0.61
▸ HDAC4 P56524 4/20 0.61
▸ HDAC1 Q13547 4/20 0.61
▸ HDAC7 Q8WUI4 4/20 0.61
▸ HDAC2 Q92769 4/20 0.61
▸ HDAC10 Q969S8 4/20 0.61
▸ HDAC11 Q96DB2 4/20 0.61
▸ HDAC8 Q9BY41 4/20 0.61
▸ HDAC6 Q9UBN7 4/20 0.61
▸ HDAC9 Q9UKV0 4/20 0.61
▸ HDAC5 Q9UQL6 4/20 0.61
▸ KDM4E B2RXH2 1/20 0.56
▸ GAK O14976 1/20 0.56
▸ MAPK13 O15264 1/20 0.56
▸ ABL1 P00519 1/20 0.56

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
SCHEMBL4230930 0.96 EGFR (0.67) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL4228349 0.94 KDR (0.68) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL4231125 0.94 KDR (0.68) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL1418593 0.94 EGFR (0.58) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL4226683 0.93 KDR (0.67) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL4232040 0.93 KDR (0.67) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL6502391 0.91 EGFR (0.57) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL1419933 0.91 FBP1 (0.70) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL4226005 0.90 KDR (0.71) EGFRFBP1ERBB2ERBB4KDR
SCHEMBL4230323 0.90 KDR (0.71) EGFRFBP1ERBB2ERBB4KDR

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 3 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
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

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 EGFR 2063/4885FBP1 2020/4885ERBB2 3690/4885
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them REN, APC, PKD1 EGFR 2063/4885FBP1 2020/4885ERBB2 3690/4885
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, BDKRB1 EGFR 1367/4885FBP1 1245/4885ERBB2 2817/4885

“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.

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