SCHEMBL6506157

SCHEMBL6506157

Cc1cc(C)nc(CN2CCN(c3ccn[c]n3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SORD Q00796 4/20 0.42
DRD4 P21917 4/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
RET P07949 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
NCF1 P14598 1/20 0.36
CASP1 P29466 2/20 0.35
CASP5 P51878 2/20 0.35
CASP4 P49662 1/20 0.35
HTT P42858 1/20 0.35
EHMT2 Q96KQ7 1/20 0.34
POLB P06746 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
SCHEMBL6293340 0.73 SORD (0.60) SORD
SCHEMBL934301 0.72 HRH4 (0.49) ALDH1A1TSHRCASP1
SCHEMBL18390913 0.70 GAA (0.47) ALDH1A1
SCHEMBL1526838 0.69 CHKA (0.39) ALDH1A1TSHRMAPK1CASP1CASP5
SCHEMBL15415235 0.69 CHKA (0.34) SORDALDH1A1MAPK1
SCHEMBL26162997 0.69 DRD2 (0.37) DRD4DRD2DRD3RETTSHR
SCHEMBL26162996 0.69 HTT (0.39) DRD4DRD2DRD3RETTSHR
SCHEMBL7303410 0.68 CYP1A2 (0.40) ALDH1A1TSHRMAPK1POLB
SCHEMBL15415674 0.68 CYP1A2 (0.40) ALDH1A1TSHRMAPK1POLB
SCHEMBL6293201 0.67 SORD (0.55) SORD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020578-A1 Sorbitol dehydrogenase inhibitors PFIZER INC. 2005-01-27 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 (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-20050020578-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 SORD 2/4885DRD4 1705/4885DRD2 2136/4885

“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.