SCHEMBL13405532

SCHEMBL13405532

NC(=O)c1nc2ccccc2nc1Nc1ccc(N2CCOCC2)c(NC(=O)c2ccccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.49
▸ IRAK4 Q9NWZ3 2/20 0.49
▸ ALDH1A1 P00352 5/20 0.47
▸ TSHR P16473 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ STAT1 P42224 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ SCN9A Q15858 1/20 0.44

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
SCHEMBL13405530 0.88 HTT (0.52) PIM1ALDH1A1TSHRPOLBNPSR1
SCHEMBL13405531 0.86 SMN1; SMN2 (0.58) PIM1ALDH1A1TSHRPOLBALOX15
SCHEMBL13405516 0.85 PIM1 (0.58) PIM1ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL13405529 0.85 PIM1 (0.52) PIM1ALDH1A1TSHRALOX15MAPK1
SCHEMBL13405525 0.81 PIM1 (0.58) PIM1SMN1; SMN2MAPK9MAPK10SYK
SCHEMBL13405517 0.81 PIM1 (0.57) PIM1ALDH1A1TSHRALOX15MAPK1
SCHEMBL13683355 0.79 PIM1 (0.55) PIM1IRAK4MAPK9MAPK10SYK
SCHEMBL13405534 0.79 PIM1 (0.55) PIM1MAPK9MAPK10SYK
SCHEMBL13405487 0.78 ALDH1A1 (0.54) PIM1ALDH1A1TSHRPOLBMAPK1
SCHEMBL13405489 0.77 PIM1 (0.64) PIM1MAPK1NPSR1SMN1; SMN2KDM4E

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 554/4885IRAK4 793/4885ALDH1A1 4364/4885

“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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