SCHEMBL4153139

SCHEMBL4153139

CC(NC1CCNCC1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
SOS1 Q07889 1/20 0.53
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
KDM1A O60341 4/20 0.43
MAOA P21397 1/20 0.43
CISD1 Q9NZ45 1/20 0.42
SLC6A2 P23975 1/20 0.42
MAOB P27338 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
MAPK1 P28482 1/20 0.42
EPHX1 P07099 2/20 0.42
LMNA P02545 1/20 0.42
GBA1 P04062 1/20 0.42
RECQL P46063 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
SCHEMBL664938 0.87 GAA (0.85) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL27818229 0.87 GAA (0.85) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL3668041 0.83 GAA (1.00) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL3671016 0.81 GAA (0.96) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL3665297 0.81 GAA (0.96) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL6030479 0.81 SOS1 (0.56) GAAL3MBTL1SOS1MEN1KMT2A
SCHEMBL21104687 0.81 GAA (0.96) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL28091017 0.81 GAA (0.96) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL4956360 0.81 GAA (0.65) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL28217900 0.80 GAA (0.68) GAAL3MBTL1MEN1POLBKMT2A

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-2892899-B1 IMIDAZOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2018-03-21 EP disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
CN-101454319-B Novel heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO LTD 2012-06-27 CN disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
CN-101454319-A Novel heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO LTD (JP) 2009-06-10 CN disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed
US-RE34201-E Analgesics ANAQUEST, INC. (US) 1993-03-23 US disclosed
US-5053411-A Analgesics ANAQUEST, INC. (US) 1991-10-01 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 (2 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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 GAA 4547/4885L3MBTL1 746/4885SOS1 120/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 GAA 4567/4885L3MBTL1 632/4885SOS1 92/4885

“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.