SCHEMBL6288666

SCHEMBL6288666

Oc1cc2ccc(Br)nc2cn1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.34
MAPK1 P28482 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32

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
SCHEMBL9941936 0.76 EGFR (0.37) MAPK1PDGFRBPDGFRA
SCHEMBL6291851 0.73 MAPK1 (0.37) MAPK1
SCHEMBL14349819 0.71 ESR2 (0.55) ESR2
SCHEMBL31505414 0.71 ESR2 (0.55) ESR2
SCHEMBL6288675 0.70
SCHEMBL2671761 0.69 GSK3A (0.45)
SCHEMBL276949 0.69 ALDH1A1 (0.52) PDGFRBPDGFRA
SCHEMBL2749215 0.69 ABL1 (0.47)
SCHEMBL3384843 0.68 ALDH1A1 (0.50) ESR2PDGFRBPDGFRA
SCHEMBL29471056 0.68 ALDH1A1 (0.50) ESR2PDGFRBPDGFRA

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-6974822-B2 3-isoquinolinone derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-12-13 US disclosed
US-20040038959-A1 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-02-26 US disclosed
WO-2004014378-A1 3-ISOQUINOLINONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040038959-A1 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors MMP1, MMP9, MMP3 ESR2 2788/4885MAPK1 461/4885PDGFRB 1950/4885

“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.