SCHEMBL1855459

SCHEMBL1855459

COc1cccc(-c2cc(N)[nH]n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PLK1 P53350 1/20 0.58
TP53 P04637 3/20 0.53
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
NOTUM Q6P988 1/20 0.49
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MAP4K4 O95819 1/20 0.47
GAA P10253 1/20 0.47
TDO2 P48775 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL4666632 0.83 MAP4K4 (0.50) MAPTSMN1; SMN2PLK1TP53MAP4K4
SCHEMBL6226718 0.83 ALDH1A1 (0.53) MAPTSMN1; SMN2PLK1TP53DYRK1A
SCHEMBL14910131 0.83 NPC1 (0.51) MAPTSMN1; SMN2KMT2AKDM4EDYRK1A
SCHEMBL13426462 0.82 MAPT (0.61) MAPTSMN1; SMN2PLK1TP53NOTUM
SCHEMBL1608353 0.82 MAPT (0.63) MAPTSMN1; SMN2PLK1TP53NOTUM
SCHEMBL167088 0.81 MAPT (0.67) MAPTSMN1; SMN2KMT2AKDM4EDYRK1A
SCHEMBL17279905 0.81 MAPT (0.61) MAPTSMN1; SMN2PLK1TP53NOTUM
SCHEMBL2088520 0.80 MAP4K4 (0.50) MAPTSMN1; SMN2PLK1TP53MKNK1
SCHEMBL14731243 0.80 XDH (0.56) MAPTSMN1; SMN2DYRK1AGAA
SCHEMBL8886596 0.79 MAPT (0.64) MAPTSMN1; SMN2PLK1TP53MKNK1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
EP-1991528-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-11-19 EP disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 WO disclosed
US-7393870-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-07-01 US disclosed
WO-2007098826-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2007-09-07 WO 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 (5 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MAPT 519/4885SMN1; SMN2 3273/4885PLK1 685/4885
US-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 MAPT 3314/4885SMN1; SMN2 4322/4885PLK1 46/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG MAPT 417/4885SMN1; SMN2 3347/4885PLK1 422/4885
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 MAPT 3314/4885SMN1; SMN2 4322/4885PLK1 46/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MAPT 519/4885SMN1; SMN2 3273/4885PLK1 685/4885

“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.