Sugi Predict

Sugi Predict / Compounds / SCHEMBL176001

SCHEMBL176001

SCHEMBL176001

CN1CC(Cc2ccccc2)CC(C(=O)Nc2ccc3c(c2)c(-c2ccncc2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 9/20 0.37
▸ MAPT P10636 1/20 0.36
▸ NPY5R Q15761 1/20 0.34
▸ NPR1 P16066 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MAP2K2 P36507 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ MAPK6 Q16659 1/20 0.33
▸ TP53BP1 Q12888 1/20 0.33
▸ CYP46A1 Q9Y6A2 1/20 0.33

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
SCHEMBL254659 0.82 MAPK1 (0.48) MAPK3MAPK1MAP2K2MAP2K1MAPK6
SCHEMBL15043259 0.77 KHK (0.39) NAMPTMAPK3MAPK1MAP2K2MAP2K1
SCHEMBL173726 0.77 NPC1 (0.39) NAMPTTP53BP1
SCHEMBL173672 0.76 MAPK1 (0.40) MAPK1
SCHEMBL18197038 0.76 F10 (0.33) NAMPTMAPTF10
SCHEMBL13854941 0.76 PTPN2 (0.47) MAPK3MAPK1MAP2K2MAP2K1MAPK6
SCHEMBL12193840 0.72 NAMPT (0.33) NAMPTMAPT
SCHEMBL30084146 0.72 PTGER1 (0.41) NAMPTMAPT
SCHEMBL18197043 0.72 GRM4 (0.36) MAPTF10CYP46A1
SCHEMBL254902 0.71 USP30 (0.38) NAMPTMAPTMAPK1

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
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 — — EP disclosed
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 — — EP disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 — — US disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 — — US disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 — — US disclosed
EP-2613782-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-17 — — EP disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 — — US disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 — — US disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 — — US disclosed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 — — 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-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 NAMPT 1686/4885MAPT 2632/4885NPY5R 2202/4885

“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.