SCHEMBL13405525

SCHEMBL13405525

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.58
▸ NPC1 O15118 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MOK Q9UQ07 1/20 0.46
▸ EML4 Q9HC35 5/20 0.45
▸ ALK Q9UM73 5/20 0.45
▸ RET P07949 4/20 0.45
▸ ROS1 P08922 4/20 0.45
▸ FLT3 P36888 4/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ MAPK10 P53779 5/20 0.44
▸ MAPK9 P45984 4/20 0.44
▸ PIK3CD O00329 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ MAPK8 P45983 1/20 0.42
▸ NCF1 P14598 1/20 0.42
▸ HTR2A P28223 1/20 0.42

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
SCHEMBL13405516 0.90 PIM1 (0.58) PIM1NPC1SMN1; SMN2MAPK10MAPK9
SCHEMBL13405517 0.89 PIM1 (0.57) PIM1NPC1SMN1; SMN2EML4ALK
SCHEMBL13405534 0.87 PIM1 (0.55) PIM1MOKEML4ALKRET
SCHEMBL13683355 0.87 PIM1 (0.55) PIM1MOKEML4ALKRET
SCHEMBL13405489 0.85 PIM1 (0.64) PIM1NPC1SMN1; SMN2EML4ALK
SCHEMBL13405529 0.84 PIM1 (0.52) PIM1MOKEML4ALKRET
SCHEMBL13405530 0.81 HTT (0.52) PIM1SMN1; SMN2
SCHEMBL13405532 0.81 PIM1 (0.49) PIM1SMN1; SMN2MAPK10MAPK9SYK
SCHEMBL13405487 0.81 ALDH1A1 (0.54) PIM1NPC1SMN1; SMN2LRRK2MAPK10
SCHEMBL13405531 0.80 SMN1; SMN2 (0.58) PIM1NPC1SMN1; 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 PIM1 554/4885NPC1 3698/4885SMN1; SMN2 2981/4885

“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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