SCHEMBL4994729

SCHEMBL4994729

Cc1cccc2c1/C(=C\Nc1ccc(CCCCN3CCCCC3)cc1)C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CRHBP P24387 1/20 0.45
HTT P42858 1/20 0.45
CRHR2 Q13324 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SIGMAR1 Q99720 3/20 0.40
RET P07949 4/20 0.39
PDGFRB P09619 2/20 0.39
ERBB2 P04626 2/20 0.39
FLT3 P36888 2/20 0.39
IGF1R P08069 1/20 0.38
PDPK1 O15530 1/20 0.38
KDR P35968 1/20 0.38
SRC P12931 2/20 0.37
SCN5A Q14524 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
SCHEMBL4994734 1.00 HRH1 (0.45) HRH1ALDH1A1CRHBPHTTCRHR2
SCHEMBL4997248 0.93 RET (0.41) ALDH1A1CRHBPHTTCRHR2NPSR1
SCHEMBL4997253 0.93 RET (0.41) ALDH1A1CRHBPHTTCRHR2NPSR1
SCHEMBL4987456 0.91 PDGFRB (0.48) ALDH1A1CRHBPHTTCRHR2NPSR1
SCHEMBL4987444 0.91 PDGFRB (0.48) ALDH1A1CRHBPHTTCRHR2NPSR1
SCHEMBL4994178 0.89 ALDH1A1 (0.42) HRH1ALDH1A1CRHBPHTTCRHR2
SCHEMBL4994170 0.89 ALDH1A1 (0.42) HRH1ALDH1A1CRHBPHTTCRHR2
SCHEMBL6599489 0.88 FLT3 (0.39) ALDH1A1CRHBPHTTCRHR2NPSR1
SCHEMBL6599490 0.88 FLT3 (0.39) ALDH1A1CRHBPHTTCRHR2NPSR1
SCHEMBL4993432 0.87 MAPT (0.44) ALDH1A1CRHBPHTTCRHR2NPSR1

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 13 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
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

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 HRH1 2490/4885ALDH1A1 1651/4885CRHBP 4069/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 HRH1 2490/4885ALDH1A1 1651/4885CRHBP 4069/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 HRH1 2490/4885ALDH1A1 1651/4885CRHBP 4069/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 HRH1 2490/4885ALDH1A1 1651/4885CRHBP 4069/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 HRH1 2490/4885ALDH1A1 1651/4885CRHBP 4069/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 HRH1 2490/4885ALDH1A1 1651/4885CRHBP 4069/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 HRH1 2490/4885ALDH1A1 1651/4885CRHBP 4069/4885

“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.