SCHEMBL5776161

SCHEMBL5776161

N#Cc1ccc(Oc2ccc3ccccn23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
MAOB P27338 1/20 0.39
SLC6A4 P31645 1/20 0.38
HRH3 Q9Y5N1 5/20 0.38
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
TNK2 Q07912 1/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
IL18 Q14116 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL27623409 0.72 TSHR (0.39) MAOBKDM4ERAB9AALDH1A1GLA
SCHEMBL378478 0.69 CYP19A1 (0.63) CYP19A1MAOBSLC6A4PARP15PARP10
SCHEMBL6221184 0.69 RAB9A (0.44) CYP19A1MAOBHRH3KDM4ERAB9A
SCHEMBL7041250 0.69 PARP15 (0.63) CYP19A1MAOBSLC6A4PARP15PARP10
SCHEMBL8852392 0.69 PARP15 (0.63) CYP19A1MAOBSLC6A4PARP15PARP10
SCHEMBL7700911 0.68 SLC6A4 (0.62) CYP19A1MAOBSLC6A4PARP15PARP10
SCHEMBL6225352 0.68 RAB9A (0.43) CYP19A1MAOBKDM4ERAB9AMAPT
SCHEMBL6219202 0.67 KMT2A (0.42) LMNASMN1; SMN2RAB9APOLBMAPT
SCHEMBL6221632 0.67 OPRD1 (0.38) CYP19A1MAOBKDM4ERAB9AMAPT
SCHEMBL6226429 0.67 ABCG2 (0.39) MAOBSLC6A4KDM4ERAB9AKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569644-A4 INDOLIZINE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 EP disclosed
EP-1598352-A1 1-Glyoxylamide indolizines for treating cancer Synta Pharmaceuticals Corporation (US) 2005-11-23 EP disclosed
EP-1569644-A2 INDOLIZINE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2005-09-07 EP disclosed
EP-1432709-B1 1-GLYOXLYLAMIDE INDOLIZINES FOR TREATING CANCER SYNTA PHARMACEUTICALS CORP (US) 2005-07-27 EP disclosed
US-6861436-B2 1-glyoxylamide indolizines for treating cancer SYNTA PHARMACEUTICALS CORP. (US) 2005-03-01 US disclosed
US-20040214850-A1 1-glyoxylamide indolizines for treating cancer SYNTA PHARMACEUTICALS CORP. 2004-10-28 US disclosed
WO-2004054507-A2 INDOLIZINE COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2004-07-01 WO disclosed
US-20030204090-A1 Indolizine compounds SYNTA PHARMACEUTICALS CORP. 2003-10-30 US disclosed
US-20030153759-A1 1-Glyoxlylamide indolizines for treating cancer SBR PHARMACEUTICALS CORP. 2003-08-14 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 (3 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-20040214850-A1 1-glyoxylamide indolizines for treating cancer NR2E1, NR4A1, NR0B1 CYP19A1 156/4885MAOB 1595/4885SLC6A4 1622/4885
US-20030153759-A1 1-Glyoxlylamide indolizines for treating cancer NR4A1, NR0B1, NR2E1 CYP19A1 246/4885MAOB 1357/4885SLC6A4 1418/4885
US-20030204090-A1 Indolizine compounds IDO1, IDO2, PDE4A CYP19A1 98/4885MAOB 454/4885SLC6A4 1515/4885

“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.