SCHEMBL4888537

SCHEMBL4888537

O=C(Nc1ccncc1)c1cn[nH]c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
GAA P10253 2/20 0.59
PIM1 P11309 1/20 0.59
PIM3 Q86V86 1/20 0.59
PIM2 Q9P1W9 1/20 0.59
JAK2 O60674 1/20 0.59
TYK2 P29597 1/20 0.59
ROCK1 Q13464 3/20 0.58
ROCK2 O75116 2/20 0.58
KMT2A Q03164 3/20 0.56
NT5E P21589 1/20 0.56
HTT P42858 2/20 0.54
IKBKE Q14164 2/20 0.54
TBK1 Q9UHD2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
ALOX12 P18054 1/20 0.54
POLB P06746 2/20 0.53
STAT3 P40763 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL13373355 0.85 PIM1 (0.70) KDM4EL3MBTL1GAAPIM1PIM3
SCHEMBL601922 0.84 ROCK1 (0.59) KDM4EL3MBTL1PIM1PIM3PIM2
SCHEMBL20577434 0.83 PIM1 (0.52) KDM4EL3MBTL1GAAPIM1PIM3
SCHEMBL18843417 0.81 NPC1 (0.57) ROCK1KMT2APOLBMEN1NPC1
SCHEMBL28304288 0.81 RAB9A (0.62) KDM4EPIM1PIM3PIM2ROCK1
SCHEMBL1898755 0.79 GAA (0.91) KDM4EL3MBTL1GAAJAK2TYK2
SCHEMBL14716526 0.79 KDM4E (1.00) KDM4EL3MBTL1GAAJAK2TYK2
SCHEMBL19774543 0.77 KDM4E (0.80) KDM4EL3MBTL1GAAJAK2TYK2
SCHEMBL16416801 0.77 KDM4E (0.67) KDM4EL3MBTL1GAAJAK2TYK2
SCHEMBL17159814 0.77 PIM1 (0.69) KDM4EL3MBTL1GAAPIM1PIM3

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
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (2 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 KDM4E 2869/4885L3MBTL1 4714/4885GAA 4722/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 KDM4E 2869/4885L3MBTL1 4714/4885GAA 4722/4885

“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.