SCHEMBL2827747

SCHEMBL2827747

c1ccc(-c2ccc(Nc3nccc(-c4ccccn4)n3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.47
PRKCA P17252 2/20 0.47
EGFR P00533 1/20 0.47
PRKCD Q05655 1/20 0.47
SYK P43405 10/20 0.46
BCR P11274 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CCND1 P24385 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDR P35968 1/20 0.43
CTSC P53634 1/20 0.43
MAPK8 P45983 1/20 0.42
PIK3CG P48736 1/20 0.42
GSK3B P49841 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
SCHEMBL4895714 0.83 TP53 (0.47) NPC1RAB9AKDRSLC2A1
SCHEMBL2819228 0.82 CDK4 (0.54) ABL1PRKCASYKBCRCDK1
SCHEMBL2824218 0.82 SLC2A1 (0.61) ABL1PRKCASYKBCRCDK1
SCHEMBL2819282 0.79 NPC1 (0.49) ABL1PRKCASYKBCRCDK1
SCHEMBL3138619 0.78 SLC2A1 (0.41) NPC1RAB9AKDRSLC2A1
Hydrochloric Acid SCHEMBL3134658 0.77 SLC2A1 (0.41) NPC1RAB9AKDRSLC2A1
SCHEMBL30745767 0.76 SLC2A1 (0.71) NPC1RAB9ASLC2A1
SCHEMBL6369179 0.76 SLC2A1 (0.71) NPC1RAB9ASLC2A1
SCHEMBL7470857 0.76 ABL1 (0.63) ABL1PRKCAEGFRPRKCDSYK
SCHEMBL18201427 0.76 CYP2A6 (0.49) NPC1RAB9AKDR

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 disclosed
US-7560464-B2 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2009-07-14 US disclosed
EP-1742634-A1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAgen, Incorporated (US) 2007-01-17 EP disclosed
US-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2005-12-01 US disclosed
WO-2005099711-A1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO 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 ABL1 2819/4885PRKCA 1726/4885EGFR 4394/4885

“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.