SCHEMBL2820977

SCHEMBL2820977

COc1cnc(-c2ccccn2)nc1Nc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
PKM P14618 1/20 0.57
TRPM8 Q7Z2W7 9/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MITF O75030 1/20 0.55
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PABPC1 P11940 1/20 0.47
HTT P42858 2/20 0.46
KDM4E B2RXH2 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
SCHEMBL2822086 0.83 TRPM8 (0.62) MAPTTRPM8LMNASMN1; SMN2L3MBTL1
SCHEMBL2820941 0.83 TRPM8 (0.68) MAPTTRPM8LMNASMN1; SMN2L3MBTL1
SCHEMBL2821547 0.81 TRPM8 (0.60) MAPTTRPM8LMNASMN1; SMN2L3MBTL1
SCHEMBL2820216 0.81 TRPM8 (0.60) MAPTTRPM8LMNASMN1; SMN2L3MBTL1
SCHEMBL2821539 0.81 TRPM8 (0.60) MAPTTRPM8LMNASMN1; SMN2L3MBTL1
SCHEMBL2821677 0.81 TRPM8 (0.59) MAPTTRPM8LMNASMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL2821559 0.81 TRPM8 (0.59) MAPTTRPM8LMNASMN1; SMN2L3MBTL1
SCHEMBL2821153 0.79 TRPM8 (0.57) MAPTTRPM8LMNASMN1; SMN2L3MBTL1
SCHEMBL2820211 0.76 TRPM8 (0.56) MAPTTRPM8LMNASMN1; SMN2L3MBTL1
SCHEMBL2822515 0.76 TRPM8 (0.54) MAPTTRPM8LMNASMN1; SMN2L3MBTL1

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 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
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 MAPT 3826/4885PKM 411/4885TRPM8 61/4885

“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.