SCHEMBL2519463

SCHEMBL2519463

Cc1cc(C)n(-c2nc(N(C(=O)OCC(C)C)c3ccc(Cl)cc3)c3ncn(C)c3n2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 2/20 0.51
KCNN2 Q9H2S1 1/20 0.51
MAPK14 Q16539 4/20 0.43
ALOX15 P16050 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 2/20 0.35
MAPT P10636 3/20 0.34
MAPK1 P28482 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
HTT P42858 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
BCL6 P41182 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2521840 0.92 KCNN2 (0.55) KCNN3KCNN2MAPK14ALOX15LMNA
SCHEMBL2516946 0.89 KCNN3 (0.51) KCNN3KCNN2MAPK14ALOX15LMNA
SCHEMBL2517763 0.86 KCNN3 (0.54) KCNN3KCNN2MAPK14ALOX15LMNA
SCHEMBL12205063 0.81 KCNN3 (0.49) KCNN3KCNN2MAPK14ALOX15LMNA
SCHEMBL30421528 0.69 KCNN3 (1.00) KCNN3KCNN2ALOX15LMNASMN1; SMN2
SCHEMBL183176 0.69 KCNN3 (1.00) KCNN3KCNN2ALOX15LMNASMN1; SMN2
SCHEMBL244351 0.68 KCNN3 (0.50) KCNN3KCNN2MAPK14SMN1; SMN2NPSR1
SCHEMBL183346 0.68 KCNN3 (0.66) KCNN3KCNN2ALOX15LMNASMN1; SMN2
SCHEMBL3238040 0.68 KCNN3 (0.66) KCNN3KCNN2ALOX15LMNASMN1; SMN2
SCHEMBL3600409 0.68 MAPK14 (0.40) MAPK14ALOX15LMNASMN1; SMN2ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268838-B2 Substituted purinyl-pyrazole derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2012-09-18 US claimed
US-20110251217-A1 SUBSTITUTED PURINYL-PYRAZOL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2011-10-13 US claimed
US-8268838-B2 Substituted purinyl-pyrazole derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2012-09-18 US disclosed
US-8268838-B2 Substituted purinyl-pyrazole derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2012-09-18 US disclosed
US-8268838-B2 Substituted purinyl-pyrazole derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2012-09-18 US disclosed
US-20110251217-A1 SUBSTITUTED PURINYL-PYRAZOL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2011-10-13 US disclosed
US-20110251217-A1 SUBSTITUTED PURINYL-PYRAZOL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2011-10-13 US disclosed
US-20110251217-A1 SUBSTITUTED PURINYL-PYRAZOL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2011-10-13 US disclosed
WO-2010034707-A1 SUBSTITUTED PURINYL-PYRAZOL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-01 WO disclosed
WO-2010034707-A1 SUBSTITUTED PURINYL-PYRAZOL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-01 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-20110251217-A1 SUBSTITUTED PURINYL-PYRAZOL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 KCNN3 7/4885KCNN2 9/4885MAPK14 607/4885

“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.