SCHEMBL13405553

SCHEMBL13405553

CCOC(=O)c1nc2cc([N+](=O)[O-])ccc2nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MITF O75030 1/20 0.48
▸ ELANE P08246 1/20 0.47
▸ GABRA2 P47869 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ GLP1R P43220 1/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ NPBWR1 P48145 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KCNMA1 Q12791 1/20 0.45

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
SCHEMBL13405555 0.88 SMN1; SMN2 (0.51) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL7935665 0.82 GLP1R (0.51) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL17601553 0.82 GLP1R (0.51) MAPTALDH1A1NPSR1GABRA2GABRB2
SCHEMBL12574451 0.82 GLP1R (0.51) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL31443282 0.80 SMN1; SMN2 (0.51) MAPTSMN1; SMN2ALDH1A1MITFELANE
SCHEMBL2021734 0.80 TSHR (0.53) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL31345627 0.80 TSHR (0.53) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL2021091 0.80 TSHR (0.53) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL31345645 0.80 TSHR (0.53) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL6231310 0.79 ELANE (0.53) MAPTSMN1; SMN2ALDH1A1LMNAMITF

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 MAPT 1694/4885SMN1; SMN2 2981/4885ALDH1A1 4364/4885

“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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