SCHEMBL13405503

SCHEMBL13405503

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.54
▸ EML4 Q9HC35 5/20 0.53
▸ ALK Q9UM73 5/20 0.53
▸ RET P07949 4/20 0.48
▸ ROS1 P08922 4/20 0.48
▸ FLT3 P36888 4/20 0.48
▸ CSNK2A1 P68400 1/20 0.46
▸ SYK P43405 3/20 0.46
▸ LRRK2 Q5S007 2/20 0.46
▸ JAK2 O60674 2/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ AHR P35869 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ APP P05067 1/20 0.45
▸ POLB P06746 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 0.89 PIM1 (0.53) PIM1EML4ALKRETROS1
SCHEMBL13405489 0.89 PIM1 (0.64) PIM1EML4ALKRETROS1
SCHEMBL13405504 0.88 EML4 (0.52) PIM1EML4ALKRETROS1
SCHEMBL13405515 0.86 EML4 (0.51) PIM1EML4ALKRETROS1
SCHEMBL13405557 0.85 MAPT (0.53) PIM1EML4ALKMAPTMAPK1
SCHEMBL13405512 0.83 MAPT (0.61) PIM1EML4ALKMAPTMAPK1
SCHEMBL13405514 0.83 EML4 (0.51) PIM1EML4ALKRETROS1
SCHEMBL13683382 0.82 MAPT (0.53) RETROS1FLT3CSNK2A1SYK
SCHEMBL13438847 0.81 MAPT (0.46) PIM1CSNK2A1SYKJAK2MAPT
SCHEMBL13405469 0.79 PIM1 (0.52) PIM1EML4ALKRETROS1

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 PIM1 554/4885EML4 2312/4885ALK 1845/4885

“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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