SCHEMBL6086704

SCHEMBL6086704

O=C1Nc2ccccc2C1=C1OCc2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
CCNA1 P78396 2/20 0.46
NTRK1 P04629 1/20 0.46
AGTR1 P30556 2/20 0.43
TDP2 O95551 1/20 0.40
TGM2 P21980 1/20 0.40
CES1 P23141 1/20 0.40
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
LRRK2 Q5S007 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PDGFRA P16234 1/20 0.37
FER P16591 1/20 0.37
LTK P29376 1/20 0.37
CDK8 P49336 1/20 0.37
ACVR1 Q04771 1/20 0.37

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
SCHEMBL6086699 1.00 CCNA2 (0.46) CCNA2CDK2CCNA1NTRK1AGTR1
SCHEMBL14725082 0.86 CSNK1G1 (0.49) CCNA2CDK2CCNA1NTRK1PARP10
SCHEMBL3770412 0.85 MAOA (0.49) CCNA2CDK2CCNA1NTRK1TDP2
SCHEMBL3770410 0.85 MAOA (0.49) CCNA2CDK2CCNA1NTRK1TDP2
SCHEMBL3917493 0.85 MAOA (0.49) CCNA2CDK2CCNA1NTRK1TDP2
SCHEMBL6088179 0.85 LMNA (0.52) CCNA2CDK2CCNA1NTRK1TDP2
SCHEMBL6088182 0.85 LMNA (0.52) CCNA2CDK2CCNA1NTRK1TDP2
SCHEMBL4303509 0.82 NTRK1 (0.44) CCNA2CDK2CCNA1NTRK1LRRK2
SCHEMBL4303507 0.82 NTRK1 (0.44) CCNA2CDK2CCNA1NTRK1LRRK2
SCHEMBL6088077 0.81 NTRK1 (0.44) CCNA2CDK2CCNA1NTRK1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490356-B1 (3Z)-3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN INC (US) 2013-02-27 EP disclosed
US-7060844-B2 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-06-13 US disclosed
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 US disclosed
EP-1490356-A1 (3Z)-3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-12-29 EP disclosed
US-20040019098-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2004-01-29 US disclosed
WO-2003084951-A1 (3Z) -3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-10-16 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-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 CCNA2 406/4885CDK2 1/4885CCNA1 352/4885
US-20040019098-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 CCNA2 423/4885CDK2 1/4885CCNA1 369/4885

“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.