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SCHEMBL173502

SCHEMBL173502

COC(=O)c1n[nH]c2ccc(NC(=O)C3CN(C(=O)OC(C)(C)C)CCS3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.46
▸ ULK1 O75385 6/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTPN6 P29350 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ABL1 P00519 3/20 0.37
▸ BCR P11274 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ RIN1 Q13671 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ FPR3 P25089 1/20 0.35
▸ FPR2 P25090 1/20 0.35

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
SCHEMBL254467 0.77 ULK1 (0.49) NAMPTULK1KDM4ESTAT3HIF1A
SCHEMBL176794 0.77 MAPK1 (0.46) NAMPTMAPK1
SCHEMBL17729049 0.76 PTPN2 (0.52) MAPK1NPC1RAB9APTPN2PTPN1
SCHEMBL18197007 0.75 NPC1 (0.40) MAPK1NPC1RAB9APTPN2PTPN1
SCHEMBL19119021 0.73 MEN1 (0.45) NPC1RAB9APTPN2PTPN1PTPN6
SCHEMBL255078 0.69 HAO1 (0.51) ULK1MAPK1
SCHEMBL31616260 0.68 USP2 (0.40) PTPN2PTPN1PTPN6ALDH1A1
SCHEMBL254493 0.67 MAPK1 (0.48) MAPK1
SCHEMBL9979972 0.67 USP2 (0.41) PTPN2PTPN1PTPN6KDM4EALDH1A1
SCHEMBL15021627 0.67 MAPK1 (0.46) MAPK1

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 9 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
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
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 — — WO 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 1686/4885ULK1 303/4885MAPK1 2/4885

“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.