SCHEMBL7524075

SCHEMBL7524075

COc1cc2nc(Nc3cccc(Br)c3)ncc2cc1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.54
EGFR P00533 10/20 0.52
ERBB2 P04626 6/20 0.52
BRAF P15056 2/20 0.50
KDR P35968 5/20 0.47
GAK O14976 3/20 0.47
FBP1 P09467 2/20 0.47
TNF P01375 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK13 O15264 1/20 0.47
ABL1 P00519 1/20 0.47
CYP1A2 P05177 1/20 0.47
CDK1 P06493 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
SRC P12931 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 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
SCHEMBL7799220 0.90 ABCG2 (0.65) ABCG2EGFRERBB2BRAFKDR
SCHEMBL30968993 0.80 EGFR (0.53) EGFRERBB2BRAFKDRFBP1
SCHEMBL5909044 0.79 FBP1 (0.58) ABCG2EGFRERBB2BRAFKDR
SCHEMBL7753469 0.79 FGFR1 (0.56) ABCG2EGFRERBB2BRAFKDR
SCHEMBL4233633 0.77 KDR (0.81) ABCG2EGFRERBB2KDRGAK
SCHEMBL7757002 0.77 PDGFRB (0.59) EGFRBRAFKDRKDM4ECDK1
SCHEMBL28221880 0.76 PDGFRB (0.64) ABCG2EGFRERBB2BRAFFBP1
SCHEMBL7800405 0.76 EGFR (0.56) ABCG2EGFRERBB2FBP1KDM4E
SCHEMBL8812882 0.75 PDGFRB (0.57) EGFRBRAFKDRKDM4ECDK1
SCHEMBL1246693 0.74 ABCG2 (0.58) ABCG2EGFRERBB2BRAFKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, BDKRB1 ABCG2 398/4885EGFR 1367/4885ERBB2 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.