SCHEMBL2822611

SCHEMBL2822611

Cc1cccc(-c2nccc(Nc3ccccn3)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
NPC1 O15118 2/20 0.50
TP53 P04637 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ALPL P05186 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
PPP1CA P62136 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HIF1A Q16665 1/20 0.48
TGFBR1 P36897 4/20 0.47
ITK Q08881 1/20 0.45
GRM5 P41594 6/20 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
SCHEMBL226477 0.83 KMT2A (0.57) KMT2ANPC1TP53RAB9ASMN1; SMN2
SCHEMBL23887627 0.83 GRM5 (0.47) KMT2ANPC1TP53RAB9ASMN1; SMN2
SCHEMBL30369941 0.83 GRM5 (0.47) KMT2ANPC1TP53RAB9ASMN1; SMN2
SCHEMBL23887604 0.83 ROCK1 (0.49) TGFBR1GRM5CCR1CCR8
SCHEMBL30114932 0.83 ROCK1 (0.49) TGFBR1GRM5CCR1CCR8
SCHEMBL25700152 0.82 TGFBR1 (0.45) KMT2ANPC1TP53RAB9ASMN1; SMN2
SCHEMBL30086804 0.81 AURKA (0.60) NPC1RAB9AMAPTTGFBR1
SCHEMBL23906882 0.81 AURKA (0.60) NPC1RAB9AMAPTTGFBR1
SCHEMBL17812899 0.79 CYP1A2 (0.52) KMT2ANPC1TP53RAB9ASMN1; SMN2
SCHEMBL2321728 0.78 CDK4 (0.52) KMT2ANPC1TP53RAB9ASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742634-B1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-10-27 EP claimed
US-7560464-B2 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2009-07-14 US claimed
EP-1742634-B1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-10-27 EP disclosed
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 908/4885NPC1 1559/4885TP53 2877/4885

“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.