SCHEMBL4995997

SCHEMBL4995997

O=C1Nc2ccc(F)cc2C1=CNc1ccc(N2CCC3(CC2)OCCO3)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FLT3 P36888 4/20 0.39
LRRK2 Q5S007 2/20 0.39
KDR P35968 3/20 0.38
CDK2 P24941 2/20 0.38
AURKB Q96GD4 2/20 0.37
FLT1 P17948 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PAK1 Q13153 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
NTRK1 P04629 2/20 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
SCHEMBL4995993 1.00 NPC1 (0.39) NPC1RAB9AFLT3LRRK2KDR
SCHEMBL4994726 0.93 TGM2 (0.43) NPC1RAB9AAURKBKMT2APDGFRB
SCHEMBL4994722 0.93 TGM2 (0.43) NPC1RAB9AAURKBKMT2APDGFRB
SCHEMBL4995232 0.90 PDGFRB (0.40) NPC1RAB9AKDRMEN1KMT2A
SCHEMBL4995243 0.90 PDGFRB (0.40) NPC1RAB9AKDRMEN1KMT2A
SCHEMBL4999472 0.89 LRRK2 (0.47) NPC1RAB9AFLT3LRRK2KDR
SCHEMBL4999471 0.89 LRRK2 (0.47) NPC1RAB9AFLT3LRRK2KDR
SCHEMBL4998914 0.89 NTRK1 (0.42) NPC1RAB9AFLT3LRRK2KDR
SCHEMBL4998912 0.89 NTRK1 (0.42) NPC1RAB9AFLT3LRRK2KDR
SCHEMBL4984978 0.88 LRRK2 (0.44) FLT3LRRK2KDRCDK2FLT1

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 NPC1 4010/4885RAB9A 2631/4885FLT3 255/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NPC1 4010/4885RAB9A 2631/4885FLT3 255/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NPC1 4010/4885RAB9A 2631/4885FLT3 255/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NPC1 4010/4885RAB9A 2631/4885FLT3 255/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NPC1 4010/4885RAB9A 2631/4885FLT3 255/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NPC1 4010/4885RAB9A 2631/4885FLT3 255/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NPC1 4010/4885RAB9A 2631/4885FLT3 255/4885

“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.