SCHEMBL3374408

SCHEMBL3374408

COc1ccc(C=C2C(=O)Nc3ccccc32)cc1F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.72
DHFR P00374 1/20 0.67
KDR P35968 1/20 0.63
NPC1 O15118 3/20 0.62
CSNK1D P48730 3/20 0.62
CSNK1A1 P48729 2/20 0.62
CSNK1E P49674 2/20 0.62
GMNN O75496 2/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
HPGD P15428 2/20 0.62
MAPK1 P28482 2/20 0.62
RAB9A P51151 2/20 0.62
BLM P54132 2/20 0.62
PMP22 Q01453 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
TP53 P04637 1/20 0.62

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
SCHEMBL5595791 1.00 ERBB2 (0.72) ERBB2DHFRKDRNPC1CSNK1D
SCHEMBL5477780 0.90 ERBB2 (0.76) ERBB2DHFRKDRNPC1CSNK1D
SCHEMBL5477779 0.90 ERBB2 (0.76) ERBB2DHFRKDRNPC1CSNK1D
SCHEMBL7843430 0.90 ERBB2 (0.76) ERBB2DHFRKDRNPC1CSNK1D
SCHEMBL5476202 0.86 DHFR (0.73) ERBB2DHFRNPC1CSNK1DCSNK1A1
SCHEMBL6405476 0.86 ERBB2 (0.71) ERBB2DHFRNPC1CSNK1DCSNK1A1
SCHEMBL5476200 0.86 DHFR (0.73) ERBB2DHFRNPC1CSNK1DCSNK1A1
SCHEMBL6405474 0.86 ERBB2 (0.71) ERBB2DHFRNPC1CSNK1DCSNK1A1
SCHEMBL7136822 0.85 MAPT (0.59) ERBB2DHFRGMNNLMNAMAPT
SCHEMBL6408143 0.85 ERBB2 (0.69) ERBB2DHFRKDRNPC1CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324267-B2 Indolin-2-one derivatives as anticarcinogenic agents for treating angiogenesis, lymphangiogenesis, filariasis FORSCHUNGZENTRUM KARLSRUHE GMBH (DE) 2012-12-04 US disclosed
US-8324267-B2 Indolin-2-one derivatives as anticarcinogenic agents for treating angiogenesis, lymphangiogenesis, filariasis FORSCHUNGZENTRUM KARLSRUHE GMBH (DE) 2012-12-04 US disclosed
EP-1406615-B1 KINASE INHIBITORS AND THE USE THEREOF KARLSRUHER INST TECHNOLOGIE (DE) 2010-11-03 EP disclosed
EP-1406615-B1 KINASE INHIBITORS AND THE USE THEREOF KARLSRUHER INST TECHNOLOGIE (DE) 2010-11-03 EP disclosed
EP-1476187-A4 METHODS OF EXTENDING CORNEAL GRAFT SURVIVAL ALLERGAN INC (US) 2007-12-26 EP disclosed
US-20040248965-A1 Kinase inhibitors and the use thereof FORSCHUNGSZENTRUM KARLSRUHE GMBH (DE) 2004-12-09 US disclosed
EP-1476187-A2 METHODS OF EXTENDING CORNEAL GRAFT SURVIVAL Allergan, Inc. (US) 2004-11-17 EP disclosed
EP-1406615-A1 KINASE INHIBITORS AND THE USE THEREOF Forschungszentrum Karlsruhe GmbH (DE) 2004-04-14 EP disclosed
US-20030180294-A1 Methods of extending corneal graft survival ALLERGAN, INC. 2003-09-25 US disclosed
WO-2003072029-A2 METHODS OF EXTENDING CORNEAL GRAFT SURVIVAL ALLERGAN, INC. (US) 2003-09-04 WO disclosed
WO-2003007943-A1 KINASE INHIBITORS AND THE USE THEREOF FORSCHUNGSZENTRUM KARLSRUHE GMBH (DE) 2003-01-30 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 (2 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-20040248965-A1 Kinase inhibitors and the use thereof MAP3K20, MAP3K6, MAP3K1 ERBB2 86/4885DHFR 2413/4885KDR 857/4885
US-20030180294-A1 Methods of extending corneal graft survival VEGFA, FLT4, FLT1 ERBB2 426/4885DHFR 930/4885KDR 4/4885

“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.