SCHEMBL13405487

SCHEMBL13405487

NC(=O)c1nc2ccccc2nc1Nc1ccccc1N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPT P10636 4/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PIM1 P11309 2/20 0.52
▸ PIK3CD O00329 2/20 0.50
▸ PIK3C2B O00750 2/20 0.50
▸ MTOR P42345 2/20 0.50
▸ PIK3CG P48736 2/20 0.50
▸ USP2 O75604 1/20 0.47
▸ POLB P06746 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ GPR55 Q9Y2T6 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46

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
SCHEMBL13405489 0.82 PIM1 (0.64) MAPTKMT2AKDM4EHTTMAPK1
SCHEMBL13405516 0.81 PIM1 (0.58) ALDH1A1MAPTKMT2AHTTHPGD
SCHEMBL13405525 0.81 PIM1 (0.58) PIM1PIK3CDNPC1SMN1; SMN2MAPK8
SCHEMBL13405517 0.81 PIM1 (0.57) ALDH1A1MAPTKMT2AHTTHPGD
SCHEMBL13405529 0.80 PIM1 (0.52) ALDH1A1MAPTKMT2AKDM4EHTT
SCHEMBL13683355 0.79 PIM1 (0.55) PIM1PIK3CDMAPK8MAPK9MAPK10
SCHEMBL13405534 0.79 PIM1 (0.55) PIM1PIK3CDMTORMAPK8MAPK9
SCHEMBL13405532 0.78 PIM1 (0.49) ALDH1A1MAPTKDM4EHTTMAPK1
SCHEMBL13405530 0.78 HTT (0.52) ALDH1A1MAPTKMT2AKDM4EHTT
SCHEMBL2713240 0.77 SMN1; SMN2 (0.59) ALDH1A1MAPTKMT2AHTTHPGD

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 ALDH1A1 4364/4885MAPT 1694/4885KMT2A 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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