SCHEMBL13438847

SCHEMBL13438847

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ AHR P35869 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ PRKDC P78527 1/20 0.43
▸ PLK4 O00444 3/20 0.43
▸ SYK P43405 1/20 0.43

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
SCHEMBL13683382 0.83 MAPT (0.53) MAPTMAPK1HTTAHRSMN1; SMN2
SCHEMBL13405503 0.81 PIM1 (0.54) MAPTMAPK1HTTAHRSMN1; SMN2
SCHEMBL13405557 0.76 MAPT (0.53) MAPTMAPK1HTTSMN1; SMN2MEN1
SCHEMBL4886099 0.72 MAPT (0.78) MAPTMAPK1HTTAHRTTBK1
SCHEMBL13405507 0.71 PIM1 (0.53) MAPTMAPK1HTTAHRMEN1
SCHEMBL1095587 0.70 TTBK1 (0.57) MAPTMAPK1HTTAHRSMN1; SMN2
SCHEMBL13405504 0.70 EML4 (0.52) MAPTMEN1KMT2ALMNAJAK2
SCHEMBL13405489 0.69 PIM1 (0.64) MAPTMAPK1HTTSMN1; SMN2MEN1
SCHEMBL13405515 0.68 EML4 (0.51) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL31357058 0.67 SYK (0.52) MAPTMAPK1HTTAHRTP53

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 1694/4885MAPK1 127/4885HTT 1330/4885

“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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