SCHEMBL1207015

SCHEMBL1207015

Nc1ccccc1-n1cc(-c2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
GRK5 P34947 1/20 0.38
MAPK8 P45983 1/20 0.38
CSNK1A1 P48729 1/20 0.38
ACVR1 Q04771 1/20 0.38
PTK2 Q05397 1/20 0.38
TYRO3 Q06418 1/20 0.38
MAP4K2 Q12851 1/20 0.38
DYRK1A Q13627 1/20 0.38
IKBKE Q14164 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CREBBP Q92793 1/20 0.38
GRM4 Q14833 7/20 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
SCHEMBL7803870 0.79 MAPT (0.46) L3MBTL1KDM4EGAACREBBPGRM4
SCHEMBL7091724 0.78 ADORA2A (0.45) L3MBTL1KDM4EGRM4ALDH1A1HPGD
SCHEMBL515503 0.75 GAA (0.59) L3MBTL1KDM4EGAAGRM4ALDH1A1
SCHEMBL12895346 0.75 L3MBTL1 (0.39) L3MBTL1KDM4EMAP4K4CREBBPGRM4
SCHEMBL7805608 0.75 AVPR2 (0.49) KDM4EDYRK1BCREBBPALDH1A1NPC1
SCHEMBL17736002 0.73 GAA (0.57) L3MBTL1GAAMAP4K4GRM4NPC1
SCHEMBL513941 0.73 GAA (0.52) L3MBTL1GAAMAP4K4GRM4NPC1
SCHEMBL1206604 0.72 HSP90AA1 (0.52) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4761708 0.71 GAA (0.50) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL23845540 0.71 GRM4 (0.41) L3MBTL1GAAMAP4K4PAK4CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 US disclosed
US-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 US disclosed
US-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 US disclosed
EP-2215066-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2010-08-11 EP disclosed
WO-2009058348-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-07 WO disclosed
WO-2009058348-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-07 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-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 L3MBTL1 3254/4885KDM4E 1780/4885GAA 752/4885

“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.