SCHEMBL6294638

SCHEMBL6294638

Cc1n[c]nc(-c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
NR1H2 P55055 4/20 0.41
NR1H3 Q13133 4/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NR1H4 Q96RI1 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 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
SCHEMBL1870772 0.84 L3MBTL1 (0.52) L3MBTL1NPC1RAB9ANR1H2NR1H3
SCHEMBL7720117 0.75 NPC1 (0.41) L3MBTL1NPC1RAB9ANR1H2NR1H3
SCHEMBL5909638 0.75 MEN1 (0.44) L3MBTL1NPC1RAB9ANR1H2NR1H3
SCHEMBL1445776 0.75 L3MBTL1 (0.90) L3MBTL1NPC1RAB9ANR1H2NR1H3
SCHEMBL1104816 0.75 L3MBTL1 (1.00) L3MBTL1NPC1RAB9ANR1H2NR1H3
SCHEMBL8625654 0.75 HSP90AA1 (0.59) L3MBTL1NPC1RAB9AMAPK1LMNA
SCHEMBL3290097 0.75 L3MBTL1 (0.39) L3MBTL1NPC1RAB9ANR1H2NR1H3
SCHEMBL27817224 0.75 TDP1 (0.47) L3MBTL1NPC1RAB9AMAPK1POLB
SCHEMBL4720293 0.75 MAPT (0.47) L3MBTL1NPC1RAB9AMAPK1LMNA
Trimethylammonium SCHEMBL27601714 0.73 MEN1 (0.39) L3MBTL1NPC1RAB9ANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077671-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2004-04-22 US claimed
US-20030065179-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2003-04-03 US claimed
US-6414149-B1 TREATING DIABETES, TREATING OR PREVENTING DIABETIC COMPLICATIONS PFIZER INC. 2002-07-02 US claimed
EP-1185275-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2002-03-13 EP claimed
WO-2000059510-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-10-12 WO claimed
US-6936600-B2 Sorbitol dehrydrogenase inhibitors PFIZER INC (US) 2005-08-30 US disclosed
US-6869943-B2 Sorbitol dehydrogenase inhibitors PFIZER INC (US) 2005-03-22 US disclosed
US-20050020578-A1 Sorbitol dehydrogenase inhibitors PFIZER INC. 2005-01-27 US disclosed
US-20040077671-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2004-04-22 US disclosed
US-6660740-B1 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-12-09 US disclosed
US-6602875-B2 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-08-05 US disclosed
US-20030065179-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2003-04-03 US disclosed
US-6414149-B1 TREATING DIABETES, TREATING OR PREVENTING DIABETIC COMPLICATIONS PFIZER INC. 2002-07-02 US disclosed
EP-1185275-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2002-03-13 EP disclosed
WO-2000059510-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-10-12 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 (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-20050020578-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 L3MBTL1 2118/4885NPC1 503/4885RAB9A 2713/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 L3MBTL1 2369/4885NPC1 491/4885RAB9A 2389/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 L3MBTL1 2369/4885NPC1 491/4885RAB9A 2389/4885

“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.