Sugi Predict

Sugi Predict / Compounds / SCHEMBL8178559

SCHEMBL8178559

SCHEMBL8178559

COc1cccc([C@@H](C)NC(=O)NN)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ LMNA P02545 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ ROCK2 O75116 9/20 0.55
▸ ROCK1 Q13464 9/20 0.55
▸ PRKG1 Q13976 4/20 0.55
▸ PRKACA P17612 3/20 0.55
▸ GSK3A P49840 3/20 0.55
▸ GSK3B P49841 3/20 0.55
▸ PRKX P51817 3/20 0.55
▸ PRKCQ Q04759 3/20 0.55
▸ CHEK1 O14757 2/20 0.55
▸ CLK4 Q9HAZ1 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ RPS6KA5 O75582 1/20 0.55

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
SCHEMBL13853508 0.87 SMN1; SMN2 (0.64) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL13853510 0.87 SMN1; SMN2 (0.64) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL25274189 0.85 POLB (0.63) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL31173723 0.85 POLB (0.63) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6969020 0.83 ACACB (0.67) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL14380839 0.83 ACACB (0.67) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL28360621 0.83 POLB (0.64) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL15831237 0.82 POLB (0.63) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL18793985 0.81 MEN1 (0.65) POLBSMN1; SMN2MEN1KMT2AROCK2
SCHEMBL18722726 0.79 MEN1 (0.67) POLBSMN1; SMN2MEN1KMT2AROCK2

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
EP-2155728-B1 HETEROCYCLIC INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-07-29 — — EP disclosed
US-8334309-B2 Heterocyclic indazole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-18 — — US disclosed
US-8334309-B2 Heterocyclic indazole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-18 — — US disclosed
US-20110190355-A1 HETEROCYCLIC INDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-04 — — US disclosed
US-20110190355-A1 HETEROCYCLIC INDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-04 — — US disclosed
WO-2008138448-A2 HETEROCYCLIC INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-11-20 — — 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-20110190355-A1 HETEROCYCLIC INDAZOLE DERIVATIVES SGK3, SGK2, SGK1 POLB 4186/4885SMN1; SMN2 4743/4885MEN1 4378/4885

“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.