SCHEMBL4852261

SCHEMBL4852261

Cc1cccc(CC(=O)CC#N)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.50
POLB P06746 1/20 0.49
MAPK8 P45983 1/20 0.44
CTSB P07858 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
PKM P14618 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL29635163 0.84 CTBP2 (0.61) CTBP2POLBMAPK8L3MBTL1NPC1
SCHEMBL7073775 0.84 CTBP2 (0.61) CTBP2POLBMAPK8L3MBTL1NPC1
SCHEMBL10852141 0.80 MAOB (0.47) POLBCTSBCTSLCTSSMAOB
SCHEMBL4221253 0.80 EGFR (0.44) MAPK8CTSBNPC1CTSLCTSS
SCHEMBL18148828 0.80 CTBP2 (0.51) CTBP2MAPK8CTSBNPC1CTSL
SCHEMBL4594957 0.80 CTBP2 (0.54) CTBP2POLBMAPK8ALDH1A1
SCHEMBL28458644 0.79 L3MBTL1 (0.50) CTBP2MAPK8L3MBTL1NPC1ALDH1A1
SCHEMBL11181344 0.79 CTBP2 (0.60) CTBP2POLBL3MBTL1NPC1ALDH1A1
SCHEMBL2436067 0.79 CTBP2 (0.56) CTBP2POLBMAPK8L3MBTL1NPC1
SCHEMBL1529438 0.78 MCL1 (0.55) CTBP2CTSBL3MBTL1CTSLCTSS

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
US-7393870-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-07-01 US disclosed
US-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-04-06 US disclosed
US-7005444-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-02-28 US disclosed
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-07-10 US disclosed
US-6559173-B1 organic molecules capable of modulating tyrosine kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. ALLERGAN, INC. 2003-05-06 US disclosed
WO-2003026650-A1 3-(HETEROARYLAMINO)METHYLENE-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 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-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 CTBP2 2231/4885POLB 2421/4885MAPK8 305/4885
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 CTBP2 2231/4885POLB 2421/4885MAPK8 305/4885

“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.