Sugi Predict

Sugi Predict / Compounds / SCHEMBL2640666

SCHEMBL2640666

SCHEMBL2640666

Nc1ncc(-c2nnc(S)n2-c2ccccc2Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ AOC3 Q16853 1/20 0.34
▸ HCAR1 Q9BXC0 1/20 0.34
▸ AKT1 P31749 3/20 0.34
▸ MAT2A P31153 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32

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
SCHEMBL2640860 0.81 GLA (0.43) ALDH1A1NPC1RAB9AAKT1TNKS
SCHEMBL2640557 0.79 TNKS (0.48) ALDH1A1LMNATNKSTNKS2HPGD
SCHEMBL2640774 0.78 TNKS (0.44) LMNAAKT1TNKSTNKS2HSD11B1
SCHEMBL2640727 0.78 HSD11B1 (0.50) ALDH1A1NPC1LMNARAB9AHCAR1
SCHEMBL2640684 0.78 ADORA2A (0.39) AKT1TNKSTNKS2HSD11B1
SCHEMBL14112938 0.77 HSD11B1 (0.51) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL2640745 0.77 HSP90AA1 (0.40) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL2635912 0.76 AKT1 (0.36) ALDH1A1LMNASMN1; SMN2AKT1BCHE
SCHEMBL2640582 0.75 HPGD (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL11538155 0.73 TNKS (0.42) ALDH1A1HCAR1TNKSTNKS2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 — — US disclosed
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 — — US disclosed
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 — — US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 — — US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 — — US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 — — US disclosed
EP-2438052-A1 AZOLE DERIVATIVES AS WTN PATHWAY INHIBITORS Oslo University Hospital HF (NO) 2012-04-11 — — EP disclosed
WO-2010139966-A1 AZOLE DERIVATIVES AS WTN PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2010-12-09 — — 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-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors WNT1, AXIN2, WNT3 ALDH1A1 1296/4885NPC1 3367/4885LMNA 1015/4885

“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.