SCHEMBL13405512

SCHEMBL13405512

NC(=O)c1nc2cc(NC(=O)c3ccncc3)ccc2nc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.61
▸ HTT P42858 1/20 0.52
▸ BTK Q06187 5/20 0.51
▸ MAPK1 P28482 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ EML4 Q9HC35 1/20 0.47
▸ ALK Q9UM73 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ ATM Q13315 1/20 0.45

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
SCHEMBL13405507 0.88 PIM1 (0.53) MAPTHTTBTKMAPK1MEN1
SCHEMBL13405504 0.86 EML4 (0.52) MAPTMEN1KMT2APIM1EML4
SCHEMBL13405515 0.84 EML4 (0.51) MAPTBTKMEN1KMT2APIM1
SCHEMBL13405503 0.83 PIM1 (0.54) MAPTHTTMAPK1MEN1KMT2A
SCHEMBL13405514 0.82 EML4 (0.51) MAPTMEN1KMT2APIM1SMN1; SMN2
SCHEMBL13405530 0.81 HTT (0.52) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL13405489 0.81 PIM1 (0.64) MAPTHTTMAPK1MEN1KMT2A
SCHEMBL1663954 0.73 MAPT (0.90) MAPTHTTMAPK1MEN1KMT2A
SCHEMBL13405531 0.72 SMN1; SMN2 (0.58) MAPTHTTBTKMAPK1MEN1
SCHEMBL13405469 0.72 PIM1 (0.52) MAPTBTKMAPK1PIM1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081657-A1 QUINOXALINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-01 — — US disclosed
US-20100081657-A1 QUINOXALINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-01 — — US disclosed
US-7592340-B2 Quinoxalines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-22 — — US disclosed
US-7592340-B2 Quinoxalines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-22 — — 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-20100081657-A1 QUINOXALINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP4K2, MAP3K5 MAPT 1694/4885HTT 1330/4885BTK 126/4885

“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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