SCHEMBL3661991

SCHEMBL3661991

[c]1ccnc(Cc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
FYN P06241 2/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRD4 O60885 2/20 0.36
HTR2B P41595 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL6167364 0.85 CYP11B1 (0.36) L3MBTL1ALDH1A1FYNSMN1; SMN2CYP1A2
SCHEMBL5850105 0.83 KCNH2 (0.47) ALDH1A1TDP1CYP1A2CYP2D6MAOB
SCHEMBL6164805 0.82 CYP1A2 (0.46) CYP1A2CYP2D6
SCHEMBL6167420 0.81 L3MBTL1 (0.44) L3MBTL1ALDH1A1TAAR1SMN1; SMN2TDP1
Water SCHEMBL28095944 0.75 L3MBTL1 (0.66) CALM1L3MBTL1ALDH1A1TAAR1RAB9A
SCHEMBL1450103 0.74 L3MBTL1 (0.50) L3MBTL1ALDH1A1TAAR1RAB9ASMN1; SMN2
SCHEMBL29373231 0.73 L3MBTL1 (0.68) CALM1L3MBTL1ALDH1A1TAAR1RAB9A
SCHEMBL64435 0.73 L3MBTL1 (0.68) CALM1L3MBTL1ALDH1A1TAAR1RAB9A
SCHEMBL31236458 0.71 L3MBTL1 (0.66) CALM1L3MBTL1ALDH1A1TAAR1RAB9A
Bromide SCHEMBL10759788 0.71 L3MBTL1 (0.66) CALM1L3MBTL1ALDH1A1TAAR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP claimed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO claimed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO disclosed
CN-1294129-C Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2007-01-10 CN disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
CN-1525968-A composition for preventing or treating liver disease 三共株式会社 2004-09-01 CN disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
CN-1295069-A Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2001-05-16 CN disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-6174901-B1 FOR TREATMENT OF RHEUMATOID ARTHRITIS, PAGETS DISEASE, OSTEOPHOROSIS, MULTIPLE MYELOMA, UVEITITIS, ACUTE OR CHRONIC MYELOGENOUS LEUKEMIA, PANCREATIC .BETA. CELL DESTRUCTION, OSTEOARTHRITIS, RHEUMATOID SPONDYLITIS, GOUTY ARTHRITIS ETC. AMGEN INC. 2001-01-16 US disclosed
EP-0866367-A2 Radiation sensitive composition JSR Corporation (JP) 1998-09-23 EP 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B CALM1 3659/4885L3MBTL1 4201/4885ALDH1A1 871/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A CALM1 3913/4885L3MBTL1 4053/4885ALDH1A1 928/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A CALM1 3785/4885L3MBTL1 4373/4885ALDH1A1 1023/4885

“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.