SCHEMBL13405489

SCHEMBL13405489

NC(=O)c1nc2ccccc2nc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.64
▸ EML4 Q9HC35 3/20 0.56
▸ ALK Q9UM73 3/20 0.56
▸ MAPT P10636 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ KDM1A O60341 1/20 0.54
▸ LRRK2 Q5S007 1/20 0.52
▸ LMNA P02545 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ MAPK9 P45984 2/20 0.52
▸ MAPK10 P53779 2/20 0.52
▸ RECQL P46063 1/20 0.52
▸ MAPK8 P45983 1/20 0.52
▸ STAT6 P42226 3/20 0.51
▸ RET P07949 1/20 0.51
▸ ROS1 P08922 1/20 0.51

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
SCHEMBL13405469 0.90 PIM1 (0.52) PIM1EML4ALKMAPTSMN1; SMN2
SCHEMBL13405471 0.89 MAPT (0.53) PIM1EML4ALKMAPTSMN1; SMN2
SCHEMBL13405503 0.89 PIM1 (0.54) PIM1EML4ALKMAPTMEN1
SCHEMBL28891673 0.87 RET (0.58) EML4ALKKDM1ARECQLSTAT6
SCHEMBL29875589 0.87 RET (0.58) EML4ALKKDM1ARECQLSTAT6
SCHEMBL13405507 0.87 PIM1 (0.53) PIM1EML4ALKMAPTMEN1
SCHEMBL13405504 0.85 EML4 (0.52) PIM1EML4ALKMAPTMEN1
SCHEMBL13405525 0.85 PIM1 (0.58) PIM1EML4ALKSMN1; SMN2LRRK2
SCHEMBL13405516 0.85 PIM1 (0.58) PIM1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13405517 0.84 PIM1 (0.57) PIM1EML4ALKMAPTKMT2A

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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