SCHEMBL13405514

SCHEMBL13405514

CNCC(=O)Nc1ccc2nc(Nc3ccc(N4CCOCC4)cc3)c(C(N)=O)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EML4 Q9HC35 4/20 0.51
▸ ALK Q9UM73 4/20 0.51
▸ POLB P06746 2/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ MAPT P10636 6/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ APP P05067 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ SNCA P37840 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ RET P07949 2/20 0.44
▸ ROS1 P08922 2/20 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
SCHEMBL13405515 0.90 EML4 (0.51) EML4ALKPOLBPIM1MAPT
SCHEMBL13405504 0.88 EML4 (0.52) EML4ALKPOLBPIM1MAPT
SCHEMBL13405507 0.88 PIM1 (0.53) EML4ALKPOLBPIM1MAPT
SCHEMBL13405503 0.83 PIM1 (0.54) EML4ALKPOLBPIM1MAPT
SCHEMBL13405512 0.82 MAPT (0.61) EML4ALKPOLBPIM1MAPT
SCHEMBL13405489 0.81 PIM1 (0.64) EML4ALKPIM1MAPTMEN1
SCHEMBL13405557 0.74 MAPT (0.53) EML4ALKPIM1MAPTALDH1A1
SCHEMBL30206068 0.74 EML4 (0.58) EML4ALKMAPTMEN1KMT2A
SCHEMBL29173494 0.74 EML4 (0.58) EML4ALKMAPTMEN1KMT2A
SCHEMBL10126777 0.73 EML4 (0.67) EML4ALKRETROS1FLT3

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 EML4 2312/4885ALK 1845/4885POLB 1841/4885

“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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