SCHEMBL4988757

SCHEMBL4988757

CC1CN(c2ccc(N/C=C3/C(=O)Nc4cccc(F)c43)cc2C(F)(F)F)CC(C)O1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
GRM1 Q13255 1/20 0.34
GRM4 Q14833 1/20 0.34
NTRK1 P04629 2/20 0.34
WEE1 P30291 1/20 0.34
WDR5 P61964 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
KCNH2 Q12809 1/20 0.32
SCN9A Q15858 1/20 0.32
USP30 Q70CQ3 1/20 0.32
MAPT P10636 1/20 0.32
NOTUM Q6P988 1/20 0.32
PKM P14618 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
SERPINE1 P05121 1/20 0.31

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
SCHEMBL4988759 1.00 PDE3B (0.36) PDE3BPDE3AGRM1GRM4NTRK1
SCHEMBL4994669 0.91 RET (0.39) PDE3BPDE3AGRM1GRM4NTRK1
SCHEMBL4994676 0.91 RET (0.39) PDE3BPDE3AGRM1GRM4NTRK1
SCHEMBL4996497 0.91 PDE3B (0.42) PDE3BPDE3AKDM4ELMNAUSP30
SCHEMBL4996493 0.91 PDE3B (0.42) PDE3BPDE3AKDM4ELMNAUSP30
SCHEMBL4998863 0.90 WEE1 (0.43) GRM1GRM4NTRK1WEE1WDR5
SCHEMBL4990695 0.90 NTRK1 (0.36) PDE3BPDE3AGRM1GRM4NTRK1
SCHEMBL4998859 0.90 WEE1 (0.43) GRM1GRM4NTRK1WEE1WDR5
SCHEMBL4990689 0.90 NTRK1 (0.36) PDE3BPDE3AGRM1GRM4NTRK1
SCHEMBL4999526 0.89 PDE3B (0.37) PDE3BPDE3AGRM1GRM4KDM4E

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 PDE3B 2731/4885PDE3A 2654/4885GRM1 1353/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PDE3B 2731/4885PDE3A 2654/4885GRM1 1353/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PDE3B 2731/4885PDE3A 2654/4885GRM1 1353/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PDE3B 2731/4885PDE3A 2654/4885GRM1 1353/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PDE3B 2731/4885PDE3A 2654/4885GRM1 1353/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PDE3B 2731/4885PDE3A 2654/4885GRM1 1353/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 PDE3B 2731/4885PDE3A 2654/4885GRM1 1353/4885

“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.