SCHEMBL13405531

SCHEMBL13405531

NC(=O)c1nc2ccccc2nc1Nc1ccc(N2CCOCC2)c(NC(=O)c2cccnc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ POLB P06746 5/20 0.57
▸ MAPT P10636 4/20 0.52
▸ TP53 P04637 1/20 0.52
▸ PIK3CA P42336 1/20 0.48
▸ PIM1 P11309 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ LMNA P02545 3/20 0.47
▸ BTK Q06187 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM4E B2RXH2 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
SCHEMBL13405530 0.91 HTT (0.52) SMN1; SMN2MEN1KMT2APOLBMAPT
SCHEMBL13405532 0.86 PIM1 (0.49) SMN1; SMN2POLBMAPTPIM1ALDH1A1
SCHEMBL13405529 0.83 PIM1 (0.52) MEN1KMT2AMAPTTP53PIM1
SCHEMBL13405516 0.81 PIM1 (0.58) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL13405525 0.80 PIM1 (0.58) SMN1; SMN2PIM1NPC1
SCHEMBL13405517 0.79 PIM1 (0.57) SMN1; SMN2KMT2AMAPTTP53PIM1
SCHEMBL13405534 0.77 PIM1 (0.55) PIK3CAPIM1
SCHEMBL13683355 0.77 PIM1 (0.55) PIM1
SCHEMBL13405487 0.76 ALDH1A1 (0.54) SMN1; SMN2MEN1KMT2APOLBMAPT
SCHEMBL13405489 0.75 PIM1 (0.64) SMN1; SMN2MEN1KMT2AMAPTPIM1

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 SMN1; SMN2 2981/4885MEN1 2017/4885KMT2A 1323/4885

“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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