SCHEMBL13405534

SCHEMBL13405534

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.55
▸ EML4 Q9HC35 5/20 0.45
▸ ALK Q9UM73 5/20 0.45
▸ RET P07949 5/20 0.45
▸ ROS1 P08922 5/20 0.45
▸ FLT3 P36888 5/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ MOK Q9UQ07 1/20 0.44
▸ SYK P43405 2/20 0.43
▸ ZAP70 P43403 1/20 0.43
▸ MAPK9 P45984 4/20 0.42
▸ MAPK10 P53779 4/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ PIK3CD O00329 1/20 0.41
▸ PIK3R1 P27986 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ MAPK8 P45983 1/20 0.41

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
SCHEMBL13683355 0.92 PIM1 (0.55) PIM1EML4ALKRETROS1
SCHEMBL13405516 0.87 PIM1 (0.58) PIM1SYKMAPK9MAPK10MAPK8
SCHEMBL13405525 0.87 PIM1 (0.58) PIM1EML4ALKRETROS1
SCHEMBL13405517 0.86 PIM1 (0.57) PIM1EML4ALKRETROS1
SCHEMBL13405529 0.83 PIM1 (0.52) PIM1EML4ALKRETROS1
SCHEMBL13405489 0.82 PIM1 (0.64) PIM1EML4ALKRETROS1
SCHEMBL13405530 0.79 HTT (0.52) PIM1
SCHEMBL13405532 0.79 PIM1 (0.49) PIM1SYKMAPK9MAPK10
SCHEMBL13405487 0.79 ALDH1A1 (0.54) PIM1LRRK2MAPK9MAPK10PIK3CD
SCHEMBL13405531 0.77 SMN1; SMN2 (0.58) PIM1PIK3CA

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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