SCHEMBL4991499

SCHEMBL4991499

CN(c1ccccc1)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
CYP2B6 P20813 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
KCNA5 P22460 2/20 0.38
CYP2C19 P33261 2/20 0.38
KCNH2 Q12809 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
OPRL1 P41146 2/20 0.38
KCNE1 P15382 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL29057686 0.93 MEN1 (0.38) SMN1; SMN2LMNAMAPTNPSR1TDP1
SCHEMBL21906494 0.79 SIGMAR1 (0.45) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL487497 0.79 MAPT (0.46) SMN1; SMN2LMNAMAPTTDP1ALDH1A1
SCHEMBL1933552 0.77 ALDH1A1 (0.42) SMN1; SMN2LMNAMAPTNPSR1TDP1
SCHEMBL29150668 0.76 HRH1 (0.40) SMN1; SMN2LMNAALDH1A1POLBKCNH2
SCHEMBL27544631 0.75 HPGD (0.41) SMN1; SMN2ALDH1A1POLBCYP2B6CYP1A2
SCHEMBL473405 0.74 ALDH1A1 (0.40) SMN1; SMN2LMNAMAPTNPSR1TDP1
N-Methylpiperidine SCHEMBL3981520 0.72 ALDH1A1 (0.47) SMN1; SMN2LMNAMAPTNPSR1TDP1
SCHEMBL11035980 0.71 ALDH1A1 (0.37) SMN1; SMN2LMNAMAPTNPSR1TDP1
SCHEMBL9864709 0.71 CTSK (0.38) SMN1; SMN2LMNAMAPTNPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1342157-A Substituted pyrazoles ASP38 kinase inhibitors SEARLE & CO (US) 2002-03-27 CN claimed
CN-1264377-A Substituted pyrazoles as P38 kinase inhabitors SEARLE & CO (US) 2000-08-23 CN claimed
US-7414054-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-08-19 US disclosed
WO-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 WO disclosed
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-08-31 US disclosed
US-7098236-B2 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-08-29 US disclosed
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-03-23 US disclosed
US-7015220-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-03-21 US disclosed
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-02-02 US disclosed
US-20050228036-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2005-10-13 US disclosed
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ANDREWS STEVEN W (US) 2004-10-07 US disclosed
US-6765012-B2 FOR MODULATING TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE, MODULATE AND/OR INHIBIT ABNORMAL CELL PROLIFERATION ALLERGAN, INC. 2004-07-20 US disclosed
EP-1430048-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-06-23 EP disclosed
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-12-04 US disclosed
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-10-23 US disclosed
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO disclosed
CN-1342157-A Substituted pyrazoles ASP38 kinase inhibitors SEARLE & CO (US) 2002-03-27 CN disclosed
CN-1264377-A Substituted pyrazoles as P38 kinase inhabitors SEARLE & CO (US) 2000-08-23 CN 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 (7 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-20050228036-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 SMN1; SMN2 4396/4885LMNA 3887/4885MAPT 3370/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 SMN1; SMN2 4396/4885LMNA 3887/4885MAPT 3370/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 SMN1; SMN2 4396/4885LMNA 3887/4885MAPT 3370/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 SMN1; SMN2 4396/4885LMNA 3887/4885MAPT 3370/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 SMN1; SMN2 4396/4885LMNA 3887/4885MAPT 3370/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 SMN1; SMN2 4396/4885LMNA 3887/4885MAPT 3370/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 SMN1; SMN2 4396/4885LMNA 3887/4885MAPT 3370/4885

“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.