SCHEMBL4995385

SCHEMBL4995385

O=C1Nc2ccc(F)cc2C1=CNc1ccc(N2CCC3CCCCC3C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
LRRK2 Q5S007 2/20 0.38
FLT3 P36888 9/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDR P35968 4/20 0.36
PDGFRB P09619 3/20 0.36
FGFR1 P11362 2/20 0.36
TLK2 Q86UE8 1/20 0.36
FLT1 P17948 2/20 0.35
PDGFRA P16234 2/20 0.35
CYP1A2 P05177 1/20 0.35
KIT P10721 1/20 0.35
KCNH2 Q12809 1/20 0.35
CSF1R P07333 1/20 0.35

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
SCHEMBL4987491 0.92 TGM2 (0.42) IP6K1IP6K3IP6K2FLT3MEN1
SCHEMBL4993582 0.88 FLT3 (0.37) LRRK2FLT3MEN1KMT2AKDR
SCHEMBL4987256 0.86 MEN1 (0.40) LRRK2FLT3MEN1KMT2AKDR
SCHEMBL4989362 0.86 ERBB2 (0.48) IP6K1IP6K3IP6K2MEN1KMT2A
SCHEMBL4987140 0.86 ERBB2 (0.46) LRRK2FLT3MEN1KMT2AKDR
SCHEMBL4987146 0.86 ERBB2 (0.46) LRRK2FLT3MEN1KMT2AKDR
SCHEMBL4991326 0.85 MEN1 (0.41) LRRK2FLT3MEN1KMT2AKDR
SCHEMBL4991332 0.85 MEN1 (0.41) LRRK2FLT3MEN1KMT2AKDR
SCHEMBL4999202 0.85 ERBB2 (0.48) LRRK2FLT3MEN1KMT2AKDR
SCHEMBL4998649 0.85 ERBB2 (0.48) LRRK2FLT3MEN1KMT2AKDR

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-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-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 (6 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 IP6K1 78/4885IP6K3 95/4885IP6K2 68/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 IP6K1 78/4885IP6K3 95/4885IP6K2 68/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 IP6K1 78/4885IP6K3 95/4885IP6K2 68/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 IP6K1 78/4885IP6K3 95/4885IP6K2 68/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 IP6K1 78/4885IP6K3 95/4885IP6K2 68/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 IP6K1 78/4885IP6K3 95/4885IP6K2 68/4885

“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.