SCHEMBL2158167

SCHEMBL2158167

Cc1ccncc1-c1cc(C(N)=O)c2n1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP11B2 P19099 9/20 0.44
CYP11B1 P15538 3/20 0.40
LCK P06239 1/20 0.38
BTK Q06187 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
KCNH2 Q12809 1/20 0.37
CDC7 O00311 1/20 0.37
CDK9 P50750 1/20 0.37
PIK3CA P42336 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL2348458 0.82 CYP11B2 (0.33) SIRT3TDP1CYP11B2CYP11B1
SCHEMBL7946362 0.80 CDC7 (0.50) CYP11B2CDC7CDK9MEN1CYP1A2
SCHEMBL7954859 0.79 MKNK1 (0.43) BTKMKNK1MKNK2GAAHPGD
SCHEMBL2157288 0.79 MKNK1 (0.46) CYP11B2MKNK1MKNK2CYP2C9GAA
SCHEMBL2157447 0.76 CYP11B2 (0.43) CYP11B2CYP11B1
SCHEMBL4037481 0.76 GPR119 (0.40) SIRT3TDP1CYP11B2
SCHEMBL2157416 0.75 CYP11B2 (0.41) SIRT3TDP1CYP11B2CYP11B1LCK
SCHEMBL7953665 0.75 MKNK1 (0.47) CYP11B2MKNK1MKNK2KMT2A
SCHEMBL7957597 0.74 HPGD (0.37) GAAHPGD
SCHEMBL7946519 0.74 PLAU (0.41) MKNK1MKNK2CYP3A4GAA

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
US-20110184011-A1 Compounds SELCIA LIMITED (GB) 2011-07-28 US claimed
EP-2361253-A1 COMPOUNDS Selcia Limited (GB) 2011-08-31 EP disclosed
US-20110184011-A1 Compounds SELCIA LIMITED (GB) 2011-07-28 US disclosed
WO-2010029364-A1 COMPOUNDS SELCIA LIMITED (GB) 2010-03-18 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-20110184011-A1 Compounds COL1A1, ALDH1A2, COL2A1 SIRT3 299/4885TDP1 1545/4885CYP11B2 164/4885

“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.