SCHEMBL2115725

SCHEMBL2115725

Cc1cccc2cc(C(C)Nc3ncnc4ccnn34)c(N3CCCC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIK3CD O00329 15/20 0.42
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
CLK1 P49759 1/20 0.35
PIK3CG P48736 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2115722 1.00 TSHR (0.43) TSHRALOX15CASP1CASP7L3MBTL1
SCHEMBL2113493 0.89 PIK3CD (0.47) PIK3CDKDM4EALDH1A1
SCHEMBL2113490 0.89 PIK3CD (0.47) PIK3CDKDM4EALDH1A1
SCHEMBL2115003 0.80 CNR2 (0.43) PIK3CDKDM4EALDH1A1
SCHEMBL2115000 0.80 CNR2 (0.43) PIK3CDKDM4EALDH1A1
SCHEMBL2113787 0.77 SOS1 (0.34) PIK3CD
SCHEMBL2113779 0.77 SOS1 (0.34) PIK3CD
SCHEMBL2117642 0.75 PIK3CD (0.44) TSHRCASP1CASP7PIK3CDKDM4E
SCHEMBL2117648 0.75 PIK3CD (0.44) TSHRCASP1CASP7PIK3CDKDM4E
SCHEMBL2114960 0.74 PIK3CD (0.43) TSHRCASP1CASP7PIK3CDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US claimed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA TSHR 1896/4885ALOX15 1348/4885CASP1 175/4885

“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.