SCHEMBL4994351

SCHEMBL4994351

O=C1Nc2cccc(F)c2/C1=C/Nc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
NPC1 O15118 8/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
TP53 P04637 3/20 0.47
ALDH1A1 P00352 2/20 0.43
CYP2A13 Q16696 2/20 0.40
HTT P42858 1/20 0.40
PAK1 Q13153 1/20 0.39
ERBB2 P04626 1/20 0.39
RET P07949 1/20 0.39
PDGFRB P09619 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 2/20 0.38
EPAS1 Q99814 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38

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
SCHEMBL4994364 1.00 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4988912 0.90 PAK1 (0.40) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4988917 0.90 PAK1 (0.40) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4991413 0.90 ALDH1A1 (0.39) RAB9ASMN1; SMN2ALDH1A1HTTPAK1
SCHEMBL4991407 0.90 ALDH1A1 (0.39) RAB9ASMN1; SMN2ALDH1A1HTTPAK1
SCHEMBL4992320 0.88 RET (0.53) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4992317 0.88 RET (0.53) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4997235 0.88 FLT3 (0.40) ALDH1A1HTTPAK1ERBB2RET
SCHEMBL4997239 0.88 FLT3 (0.40) ALDH1A1HTTPAK1ERBB2RET
SCHEMBL4992353 0.85 PDGFRB (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1ERBB2

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 RAB9A 2631/4885NPC1 4010/4885SMN1; SMN2 4396/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 RAB9A 2631/4885NPC1 4010/4885SMN1; SMN2 4396/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 RAB9A 2631/4885NPC1 4010/4885SMN1; SMN2 4396/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 RAB9A 2631/4885NPC1 4010/4885SMN1; SMN2 4396/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 RAB9A 2631/4885NPC1 4010/4885SMN1; SMN2 4396/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 RAB9A 2631/4885NPC1 4010/4885SMN1; SMN2 4396/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 RAB9A 2631/4885NPC1 4010/4885SMN1; SMN2 4396/4885

“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.