SCHEMBL4858684

SCHEMBL4858684

Cc1cccc(Cc2cc(N)[nH]n2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.43
LTA4H P09960 1/20 0.43
IDO1 P14902 2/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
ALDH1A1 P00352 3/20 0.41
DAO P14920 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.40
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HTR6 P50406 1/20 0.39
APP P05067 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL956156 0.81 CDC7 (0.43) MPOALDH1A1DAOTDP1HPGD
SCHEMBL18148766 0.81 MPO (0.47) MPOTAAR1IDO1DAO
SCHEMBL22636363 0.80 TAAR1 (0.50) TAAR1LTA4HIDO1MEN1KMT2A
SCHEMBL16746855 0.79 MPO (0.48) MPODAO
SCHEMBL28570388 0.78 ALDH1A1 (0.44) MPOLTA4HIDO1CCNCCDK8
SCHEMBL1853783 0.77 MPO (0.50) MPOTAAR1LTA4HIDO1DAO
SCHEMBL18127144 0.76 PTGS1 (0.51) MPOCCNCCDK8ALDH1A1DAO
SCHEMBL14719140 0.76 DAO (0.51) CCNCCDK8ALDH1A1DAO
SCHEMBL30107651 0.76 DAO (0.51) CCNCCDK8ALDH1A1DAO
SCHEMBL12371178 0.75 TSHR (0.49) IDO1ALDH1A1TDP1MEN1HPGD

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 MPO 4671/4885TAAR1 2176/4885LTA4H 4467/4885
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 MPO 4671/4885TAAR1 2176/4885LTA4H 4467/4885

“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.