SCHEMBL4468554

SCHEMBL4468554

CN(c1ccccn1)c1nccc(-c2ccccn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
LMNA P02545 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
TP53 P04637 3/20 0.50
ALOX15 P16050 3/20 0.50
HTT P42858 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALPL P05186 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
METAP1 P53582 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
SCHEMBL4902597 0.83 KDM4E (0.59) KDM4ELMNAL3MBTL1SMN1; SMN2CCR1
SCHEMBL3987071 0.79 CYP2D6 (0.43) KDM4ELMNAL3MBTL1SMN1; SMN2TP53
SCHEMBL25687569 0.78 CYP2D6 (0.42) KDM4ELMNAL3MBTL1SMN1; SMN2CCR1
SCHEMBL231127 0.75 CYP2D6 (0.57) KDM4ELMNAL3MBTL1SMN1; SMN2CCR1
SCHEMBL29125638 0.75 KDM4E (0.63) KDM4ELMNAL3MBTL1SMN1; SMN2CCR1
SCHEMBL5356922 0.74 KDM4E (0.47) KDM4ELMNAL3MBTL1SMN1; SMN2CCR1
SCHEMBL776048 0.74 KDM4E (0.67) KDM4ELMNAL3MBTL1SMN1; SMN2CCR1
Hydrochloric Acid SCHEMBL6775520 0.73 CYP2D6 (0.55) KDM4ELMNAL3MBTL1SMN1; SMN2CCR1
Methane SCHEMBL28533749 0.73 CYP2D6 (0.55) KDM4ELMNAL3MBTL1SMN1; SMN2CCR1
Dipyridyl SCHEMBL28393736 0.73 KDM4E (0.78) KDM4ELMNAL3MBTL1SMN1; SMN2CCR1

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 KDM4E 1336/4885LMNA 3948/4885L3MBTL1 4011/4885

“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.