SCHEMBL13405557

SCHEMBL13405557

CCOC(=O)c1nc2cc(N)ccc2nc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.53
▸ GAA P10253 8/20 0.53
▸ LMNA P02545 4/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ HTT P42858 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ MC4R P32245 2/20 0.53
▸ PTK2B Q14289 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MAPK1 P28482 2/20 0.52
▸ CLK1 P49759 1/20 0.52
▸ GSK3A P49840 1/20 0.52
▸ GSK3B P49841 1/20 0.52
▸ TP53 P04637 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48

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
SCHEMBL13405554 0.87 ALDH1A1 (0.51) MAPTGAALMNASMN1; SMN2MEN1
SCHEMBL13405503 0.85 PIM1 (0.54) MAPTGAALMNASMN1; SMN2MEN1
SCHEMBL13683382 0.81 MAPT (0.53) MAPTGAALMNASMN1; SMN2MEN1
SCHEMBL13438847 0.76 MAPT (0.46) MAPTGAALMNASMN1; SMN2MEN1
SCHEMBL13405504 0.76 EML4 (0.52) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL13405507 0.75 PIM1 (0.53) MAPTGAALMNAMEN1KMT2A
SCHEMBL13405515 0.74 EML4 (0.51) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL13405489 0.74 PIM1 (0.64) MAPTGAALMNASMN1; SMN2MEN1
SCHEMBL13405514 0.74 EML4 (0.51) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL28421857 0.71 SMN1; SMN2 (0.65) MAPTGAASMN1; SMN2MEN1KMT2A

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 2 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-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 MAPT 1694/4885GAA 1093/4885LMNA 2234/4885

“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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