SCHEMBL15043259

SCHEMBL15043259

O=C(Nc1ccc2c(c1)c(-c1ccncc1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1)C1CNCC(c2ccccc2)C1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 5/20 0.39
▸ NAMPT P43490 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ULK1 O75385 1/20 0.33
▸ KCNH2 Q12809 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
▸ PDPK1 O15530 1/20 0.33
▸ ROCK1 Q13464 1/20 0.32
▸ SLC5A1 P13866 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
SCHEMBL173726 0.82 NPC1 (0.39) NAMPTROCK1
SCHEMBL173378 0.80 ULK1 (0.49) ULK1MAPK3MAPK1MAP2K2MAP2K1
SCHEMBL176001 0.77 NAMPT (0.37) NAMPTMAPK3MAPK1MAP2K2MAP2K1
SCHEMBL13854941 0.75 PTPN2 (0.47) MAPK3MAPK1MAP2K2MAP2K1MAPK6
SCHEMBL12193840 0.74 NAMPT (0.33) NAMPTALDH1A1LMNASMN1; SMN2
SCHEMBL30084146 0.72 PTGER1 (0.41) NAMPTALDH1A1GAASMN1; SMN2
SCHEMBL173672 0.72 MAPK1 (0.40) MAPK1ROCK1
SCHEMBL9986454 0.70 CSNK2A2 (0.41) ALDH1A1GAASMN1; SMN2MAPK3MAPK1
SCHEMBL14859482 0.70 F2R (0.45) —
SCHEMBL9987368 0.70 F2R (0.45) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KHK 2444/4885NAMPT 1686/4885ALDH1A1 1124/4885

“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.

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