SCHEMBL4991413

SCHEMBL4991413

O=C1Nc2cccc(F)c2C1=CNc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PAK1 Q13153 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
TNIK Q9UKE5 1/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MCHR1 Q99705 1/20 0.36
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
PARP1 P09874 2/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4991407 1.00 ALDH1A1 (0.39) ALDH1A1KDM4ECYP2D6CYP2C19PAK1
SCHEMBL4994364 0.90 RAB9A (0.47) ALDH1A1PAK1HRH3HTTRAB9A
SCHEMBL4990826 0.90 PAK1 (0.39) ALDH1A1PAK1HRH3HTT
SCHEMBL4990835 0.90 PAK1 (0.39) ALDH1A1PAK1HRH3HTT
SCHEMBL4994351 0.90 RAB9A (0.47) ALDH1A1PAK1HRH3HTTRAB9A
SCHEMBL4993441 0.88 MAPT (0.44) ALDH1A1KDM4ECYP2D6CYP2C19HRH3
SCHEMBL4993432 0.88 MAPT (0.44) ALDH1A1KDM4ECYP2D6CYP2C19HRH3
SCHEMBL4994178 0.87 ALDH1A1 (0.42) ALDH1A1PAK1HRH3HTT
SCHEMBL4994170 0.87 ALDH1A1 (0.42) ALDH1A1PAK1HRH3HTT
SCHEMBL4997272 0.87 PAK1 (0.39) PAK1HTTRAB9ASMN1; SMN2PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414054-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-08-19 US 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
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

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 ALDH1A1 1651/4885KDM4E 1025/4885CYP2D6 3569/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALDH1A1 1651/4885KDM4E 1025/4885CYP2D6 3569/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALDH1A1 1651/4885KDM4E 1025/4885CYP2D6 3569/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALDH1A1 1651/4885KDM4E 1025/4885CYP2D6 3569/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALDH1A1 1651/4885KDM4E 1025/4885CYP2D6 3569/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALDH1A1 1651/4885KDM4E 1025/4885CYP2D6 3569/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALDH1A1 1651/4885KDM4E 1025/4885CYP2D6 3569/4885

“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.