SCHEMBL3153174

SCHEMBL3153174

CN(Cc1ccc(N)cc1)Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 2/20 0.56
MAOB P27338 2/20 0.48
AOC3 Q16853 1/20 0.47
TAAR1 Q96RJ0 2/20 0.45
NPC1 O15118 1/20 0.44
CXCR3 P49682 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RIPK1 Q13546 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3191532 0.89 PYCR1 (0.67) PYCR1AOC3TAAR1NPC1CXCR3
SCHEMBL30093198 0.89 PYCR1 (0.67) PYCR1AOC3TAAR1NPC1CXCR3
SCHEMBL8789729 0.83 SIGMAR1 (0.57) PYCR1MAOBAOC3TAAR1MAPT
SCHEMBL22304838 0.83 PYCR1 (0.60) PYCR1AOC3TAAR1NPC1CXCR3
SCHEMBL3152066 0.81 CARM1 (0.59) PYCR1MAOBAOC3MAPTALDH1A1
SCHEMBL21268450 0.81 ALDH1A1 (0.63) PYCR1MAOBNPC1ALDH1A1KDM4E
SCHEMBL13232509 0.81 PYCR1 (0.58) PYCR1AOC3TAAR1NPC1CXCR3
SCHEMBL3148027 0.81 ACHE (0.56) PYCR1TAAR1MAPTALDH1A1LOXL2
SCHEMBL3149087 0.79 PYCR1 (0.56) PYCR1MAOBAOC3TAAR1NPC1
SCHEMBL3161523 0.79 PYCR1 (0.59) PYCR1MAOBTAAR1CXCR3MAPT

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
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
WO-2017143011-A1 HISTONE DEMETHYLASE INHIBITORS Chrysalis, Inc. (US) 2017-08-24 WO disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 EP disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
CN-100455568-C 6-position substituted indoline, production and use thereof as medicament BOEHRINGER INGELHEIM PHARMA (DE) 2009-01-28 CN disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
CN-1391557-A 6-substituted indolinones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2003-01-15 CN disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 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 (1 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR PYCR1 323/4885MAOB 668/4885AOC3 4225/4885

“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.