SCHEMBL4479110

SCHEMBL4479110

c1ccc(Nc2cc(-c3ccccn3)nc(-c3ccccn3)n2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.58
KDM4E B2RXH2 6/20 0.55
TDP1 Q9NUW8 3/20 0.55
KCNN1 Q92952 2/20 0.53
KCNN2 Q9H2S1 2/20 0.53
KCNN3 Q9UGI6 2/20 0.53
MECP2 P51608 1/20 0.53
MBD2 Q9UBB5 1/20 0.53
KMT2A Q03164 2/20 0.52
ALOX15 P16050 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
CCR1 P32246 3/20 0.47
CCR5 P51681 3/20 0.47
CCR8 P51685 3/20 0.47
MEN1 O00255 1/20 0.47
MAPK10 P53779 1/20 0.47
GFER P55789 1/20 0.47
LMNA P02545 3/20 0.47
CYP1A2 P05177 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL4475785 0.86 MAP4K4 (0.55) KDM4ETDP1KCNN1KCNN2KCNN3
SCHEMBL4476417 0.81 KMT2A (0.54) SLC2A1KDM4ETDP1KMT2ACYP1A2
SCHEMBL7152644 0.80 KDM4E (0.77) SLC2A1KDM4ETDP1ALOX15L3MBTL1
SCHEMBL5022535 0.78 KMT2A (0.55) SLC2A1KDM4ETDP1KCNN1KCNN2
Hydrochloric Acid SCHEMBL4902758 0.77 SMN1; SMN2 (0.61) KDM4ETDP1KCNN1KCNN2KCNN3
SCHEMBL221242 0.75 KMT2A (0.76) KDM4ETDP1KCNN1KCNN2KCNN3
SCHEMBL29391624 0.75 KMT2A (0.76) KDM4ETDP1KCNN1KCNN2KCNN3
SCHEMBL20919346 0.74 KMT2A (0.57) KDM4ETDP1KCNN1KCNN2KCNN3
SCHEMBL20919383 0.74 KDM4E (0.68) KDM4ETDP1KCNN1KCNN2KCNN3
SCHEMBL13133534 0.73 KDM4E (0.70) SLC2A1KDM4ETDP1ALOX15L3MBTL1

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 SLC2A1 1482/4885KDM4E 1336/4885TDP1 1750/4885

“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.