SCHEMBL13405516

SCHEMBL13405516

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.58
▸ SYK P43405 2/20 0.54
▸ RAB9A P51151 6/20 0.52
▸ MAPT P10636 7/20 0.52
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ LMNA P02545 5/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ MAPK9 P45984 3/20 0.50
▸ MAPK10 P53779 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MAPK8 P45983 1/20 0.48
▸ EGFR P00533 1/20 0.47

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
SCHEMBL13405525 0.90 PIM1 (0.58) PIM1SYKNPC1MAPK9MAPK10
SCHEMBL13405517 0.89 PIM1 (0.57) PIM1SYKRAB9AMAPTKMT2A
SCHEMBL13683355 0.87 PIM1 (0.55) PIM1SYKMAPK9MAPK10MAPK8
SCHEMBL13405534 0.87 PIM1 (0.55) PIM1SYKMAPK9MAPK10MAPK8
SCHEMBL13405532 0.85 PIM1 (0.49) PIM1SYKMAPTMAPK1MAPK9
SCHEMBL13405489 0.85 PIM1 (0.64) PIM1SYKRAB9AMAPTMEN1
SCHEMBL13405529 0.84 PIM1 (0.52) PIM1RAB9AMAPTMEN1KMT2A
SCHEMBL13405530 0.83 HTT (0.52) PIM1MAPTMEN1KMT2ALMNA
SCHEMBL13405487 0.81 ALDH1A1 (0.54) PIM1MAPTMEN1KMT2ALMNA
SCHEMBL13405531 0.81 SMN1; SMN2 (0.58) PIM1RAB9AMAPTMEN1KMT2A

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 554/4885SYK 638/4885RAB9A 1187/4885

“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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