SCHEMBL2852141

SCHEMBL2852141

Cn1nc(C2CC2)cc1NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.56
JAK1 P23458 1/20 0.56
GAA P10253 1/20 0.49
KCNJ6 P48051 7/20 0.48
KCNJ3 P48549 7/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCNA1 P78396 1/20 0.48
GRM5 P41594 1/20 0.48
KCNT1 Q5JUK3 1/20 0.47
PIK3CD O00329 1/20 0.47
KDM1A O60341 1/20 0.46
KCNJ5 P48544 3/20 0.46
PDE10A Q9Y233 2/20 0.45

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
SCHEMBL2854538 0.86 KDM4E (0.53) JAK2JAK1GAAKCNJ6KCNJ3
SCHEMBL30640604 0.85 JAK2 (0.47) JAK2JAK1POLBCCNA2CDK2
SCHEMBL26857654 0.84 JAK2 (0.45) JAK2JAK1GAAKCNJ6KCNJ3
SCHEMBL2854953 0.83 SMN1; SMN2 (0.50) JAK2JAK1GAAPIK3CDKDM1A
SCHEMBL4714665 0.82 KCNJ6 (0.48) JAK2JAK1GAAKCNJ6KCNJ3
SCHEMBL31703858 0.81 JAK2 (0.47) JAK2JAK1PIK3CDPDE10A
SCHEMBL5225046 0.80 KCNJ6 (0.48) JAK2JAK1GAAKCNJ6KCNJ3
SCHEMBL14107734 0.79 PIK3CD (0.53) JAK2JAK1KCNT1PIK3CDKDM1A
SCHEMBL6991912 0.79 JAK2 (0.46) JAK2JAK1KCNJ6KCNJ3KCNT1
SCHEMBL2858001 0.78 GRM5 (0.70) POLBGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
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 JAK2 1925/4885JAK1 3303/4885GAA 4722/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 JAK2 1925/4885JAK1 3303/4885GAA 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.