SCHEMBL2822236

SCHEMBL2822236

COc1cnc(-c2ccccn2)nc1-c1cc(N)cnc1N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 11/20 0.52
▸ SMN1; SMN2 Q16637 9/20 0.52
▸ MAPT P10636 6/20 0.52
▸ HTT P42858 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 5/20 0.50
▸ TRPM8 Q7Z2W7 5/20 0.50
▸ PPP1CA P62136 7/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ MITF O75030 1/20 0.49
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL2821103 0.86 L3MBTL1 (0.57) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1443064 0.79 L3MBTL1 (0.65) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL913862 0.74 TDO2 (0.50) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL10270342 0.74 L3MBTL1 (0.65) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1442223 0.71 LMNA (0.67) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1443054 0.69 TRPM8 (0.60) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL23837648 0.69 TRPM8 (0.73) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1443569 0.69 L3MBTL1 (1.00) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL3134723 0.69 KDM4E (0.44) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL2822092 0.68 KMT2A (0.56) L3MBTL1SMN1; SMN2MAPTHTTKDM4E

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 3 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
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 L3MBTL1 4011/4885SMN1; SMN2 3689/4885MAPT 3826/4885

“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.

Send feedback