SCHEMBL4470574

SCHEMBL4470574

c1ccc(Nc2nc(-c3ccccn3)nc3ccccc23)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
RAB9A P51151 4/20 0.64
MEN1 O00255 3/20 0.64
NPC1 O15118 2/20 0.63
ADORA3 P0DMS8 2/20 0.63
METAP1 P53582 3/20 0.61
PDE5A O76074 1/20 0.61
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
JAK2 O60674 1/20 0.60
PPP1CA P62136 1/20 0.60
ABCG2 Q9UNQ0 4/20 0.59
ABCB1 P08183 2/20 0.59
MAPT P10636 3/20 0.59
HTT P42858 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TGFBR1 P36897 1/20 0.57
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55

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
SCHEMBL1062754 0.87 ABCG2 (0.65) KMT2AMEN1PDE5AABCG2MAPT
SCHEMBL1083871 0.83 MEN1 (0.71) KMT2AMEN1L3MBTL1MAPTNPSR1
SCHEMBL2912538 0.83 ABCG2 (0.68) KMT2ARAB9AMEN1NPC1ADORA3
SCHEMBL2913682 0.81 ABCG2 (0.69) KMT2ARAB9AMEN1NPC1ADORA3
SCHEMBL10709371 0.78 KMT2A (0.63) KMT2ARAB9AMEN1NPC1ADORA3
SCHEMBL9937654 0.78 ABCG2 (0.77) KMT2ARAB9AMEN1NPC1METAP1
SCHEMBL2908125 0.77 KMT2A (1.00) KMT2ARAB9AMEN1NPC1ADORA3
SCHEMBL10708288 0.77 ADORA3 (1.00) KMT2ARAB9AMEN1NPC1ADORA3
SCHEMBL10706986 0.77 ADORA3 (0.71) KMT2ARAB9AMEN1NPC1ADORA3
SCHEMBL10705748 0.76 ADORA3 (0.78) KMT2ARAB9AMEN1NPC1ADORA3

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-7560464-B2 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2009-07-14 US disclosed
US-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2005-12-01 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-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators KCNJ2, KCNJ1, KCNJ11 KMT2A 908/4885RAB9A 3914/4885MEN1 3752/4885

“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.