SCHEMBL7128312

SCHEMBL7128312

Nc1cccc(Nc2nccc3c(Br)cccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.52
EGFR P00533 12/20 0.47
ERBB2 P04626 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RET P07949 1/20 0.44
KDR P35968 1/20 0.44
TNF P01375 1/20 0.43
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
SRC P12931 2/20 0.43
SYK P43405 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
PLAU P00749 1/20 0.42

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
SCHEMBL5444972 0.82 MEN1 (0.54) ERBB2MEN1KMT2ARETKDR
SCHEMBL7127026 0.80 AHR (0.53) AHREGFRKDM4EMEN1LMNA
SCHEMBL7127641 0.79 AHR (0.58) AHREGFRKDM4EMEN1LMNA
SCHEMBL7117237 0.79 EGFR (0.49) EGFRLMNATNFABCG2
SCHEMBL7120233 0.79 ABCG2 (0.59) EGFRERBB2KDM4EMEN1GAA
SCHEMBL4505968 0.77 EGFR (0.54) EGFRERBB2KDM4EMEN1MAPT
SCHEMBL5448685 0.76 BRAF (0.49) AHREGFRMEN1MAPTKMT2A
SCHEMBL11848847 0.76 PLAU (0.50) EGFRKDM4EMEN1LMNAMAPT
SCHEMBL7128446 0.76 ABCG2 (0.41) EGFRKDM4EMEN1MAPTKMT2A
SCHEMBL7124011 0.76 ABL1 (0.49) EGFRTNFABL1BCRSRC

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 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 (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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 AHR 272/4885EGFR 319/4885ERBB2 181/4885

“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.