SCHEMBL2115559

SCHEMBL2115559

Cc1cccc2cc(C(NC(=O)O)C(C)(C)C)c(Cl)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FAAH O00519 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.40
KDR P35968 10/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL844461 0.83 MAPT (0.46) MAPTMEN1KMT2ANPC1GAA
SCHEMBL2117085 0.81 PDE2A (0.36) SMN1; SMN2
SCHEMBL713467 0.76 TSHR (0.43) MAPTMEN1KMT2ANPC1GAA
SCHEMBL863903 0.76 TSHR (0.43) MAPTMEN1KMT2ANPC1GAA
SCHEMBL721702 0.76 KDR (0.41) MAPTMEN1KMT2ANPC1GAA
SCHEMBL721701 0.76 KDR (0.41) MAPTMEN1KMT2ANPC1GAA
SCHEMBL616122 0.74 LMNA (0.33) KMT2ARAB9AL3MBTL1SMN1; SMN2MAPK1
SCHEMBL1886074 0.74 DRD4 (0.45) MAPTMEN1KMT2ANPC1GAA
SCHEMBL1880475 0.74 DRD4 (0.45) MAPTMEN1KMT2ANPC1GAA
SCHEMBL26529514 0.73 LMNA (0.47) MAPTMEN1KMT2ANPC1GAA

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 1 patent. 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 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 MAPT 1441/4885MEN1 3999/4885KMT2A 4018/4885

“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.