SCHEMBL2821539

SCHEMBL2821539

COc1cnc(-c2ccccn2)nc1Nc1ccc(Cl)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 9/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
LMNA P02545 5/20 0.60
MAPT P10636 5/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
MITF O75030 1/20 0.60
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
POLB P06746 2/20 0.57
PPP1CA P62136 4/20 0.56
GAA P10253 1/20 0.56
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC2A1 P11166 1/20 0.50
CYP3A4 P08684 1/20 0.49

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
Hydrochloric Acid SCHEMBL2821559 0.99 TRPM8 (0.59) TRPM8SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL2822086 0.88 TRPM8 (0.62) TRPM8SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL2820941 0.88 TRPM8 (0.68) TRPM8SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL2821547 0.86 TRPM8 (0.60) TRPM8SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL2820216 0.86 TRPM8 (0.60) TRPM8SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL2821677 0.85 TRPM8 (0.59) TRPM8SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL2821153 0.83 TRPM8 (0.57) TRPM8SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL2820977 0.81 MAPT (0.57) TRPM8SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL2820211 0.81 TRPM8 (0.56) TRPM8SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL2822515 0.81 TRPM8 (0.54) TRPM8SMN1; SMN2LMNAMAPTL3MBTL1

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 7 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
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 TRPM8 61/4885SMN1; SMN2 3689/4885LMNA 3948/4885

“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.