SCHEMBL13405484

SCHEMBL13405484

CCN(CC)c1ccc(Nc2nc3ccccc3nc2C(N)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.53
KDM1A O60341 3/20 0.52
PIM1 P11309 2/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
NOX1 Q9Y5S8 1/20 0.48
MAPT P10636 6/20 0.47
LMNA P02545 3/20 0.47
SYK P43405 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL13405474 0.86 KDM1A (0.58) KDM1APIM1MEN1KMT2ANPC1
SCHEMBL13405502 0.82 TNKS (0.55) KDM1APIM1MEN1KMT2ANPC1
SCHEMBL13405492 0.82 MAPT (0.58) KDM1APIM1MEN1KMT2ANPC1
SCHEMBL13683354 0.80 PIM1 (0.50) KDM1APIM1MEN1KMT2AMAPT
SCHEMBL13405479 0.80 PIM1 (0.76) PIM1MEN1KMT2AMAPTLMNA
SCHEMBL29890159 0.79 PIM1 (0.57) NPY5RPIM1MEN1KMT2ANPC1
SCHEMBL13405472 0.78 MAPT (0.62) NPY5RKDM1APIM1MEN1KMT2A
SCHEMBL29889982 0.78 MAPT (0.62) NPY5RKDM1APIM1MEN1KMT2A
SCHEMBL13405476 0.76 PIM1 (0.51) PIM1MEN1KMT2AMAPTLMNA
SCHEMBL13405494 0.75 MAPT (0.59) PIM1MEN1KMT2AMAPTALDH1A1

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 NPY5R 4045/4885KDM1A 1784/4885PIM1 554/4885

“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.