SCHEMBL6294650

SCHEMBL6294650

C[C@@H]1CN(c2nccc(-n3cncn3)n2)C[C@H](C)N1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.37
EIF2AK4 Q9P2K8 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
GHSR Q92847 1/20 0.34
SORD Q00796 5/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
BCL6 P41182 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
PIM1 P11309 1/20 0.32
ATR Q13535 2/20 0.32
ATRIP Q8WXE1 1/20 0.32
SUV39H2 Q9H5I1 1/20 0.31
CDK4 P11802 1/20 0.31

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
SCHEMBL6293494 0.90 EIF2AK4 (0.40) EIF2AK4SORDPIM1
SCHEMBL3625207 0.77 CYP2A6 (0.41) PIM1
SCHEMBL6293103 0.76 SORD (0.66) SORD
SCHEMBL6822397 0.75 SORD (0.56) SORD
SCHEMBL3533723 0.72 PTPN11 (0.48) PTPN11EIF2AK4ROCK2ROCK1GHSR
SCHEMBL3533726 0.72 PTPN11 (0.48) PTPN11EIF2AK4ROCK2ROCK1GHSR
SCHEMBL25240554 0.69 PTPN11 (0.43) PTPN11EIF2AK4ROCK2ROCK1GHSR
SCHEMBL30457411 0.69 PTPN11 (0.43) PTPN11EIF2AK4ROCK2ROCK1GHSR
SCHEMBL25280102 0.69 CTSS (0.42) PTPN11ROCK2ROCK1GHSR
SCHEMBL29631769 0.69 KDM4E (0.44) PTPN11GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTPN11 4134/4885EIF2AK4 1413/4885ROCK2 1760/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 PTPN11 4081/4885EIF2AK4 1481/4885ROCK2 1231/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 PTPN11 4081/4885EIF2AK4 1481/4885ROCK2 1231/4885

“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.