SCHEMBL4862659

SCHEMBL4862659

CCn1nccc1NC=C1C(=O)Nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
TGM2 P21980 1/20 0.45
IDO1 P14902 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
GSK3B P49841 2/20 0.44
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TLK2 Q86UE8 1/20 0.41
ALK Q9UM73 1/20 0.41

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
SCHEMBL4862653 1.00 EGFR (0.46) EGFRMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5434452 0.86 MAOA (0.43) EGFRSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL5434450 0.86 MAOA (0.43) EGFRSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7616079 0.84 GSK3B (0.43) EGFRMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7605175 0.84 MAPT (0.44) MAPTALDH1A1SMN1; SMN2GSK3BNPC1
SCHEMBL7605173 0.84 MAPT (0.44) MAPTALDH1A1SMN1; SMN2GSK3BNPC1
SCHEMBL7616082 0.84 GSK3B (0.43) EGFRMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5424704 0.81 RET (0.41) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL5424708 0.81 RET (0.41) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL7606158 0.78 JAK3 (0.41) MAPTALDH1A1KMT2AMEN1KDM4E

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 EGFR 164/4885MAPT 3314/4885ALDH1A1 2360/4885
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 EGFR 164/4885MAPT 3314/4885ALDH1A1 2360/4885

“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.