SCHEMBL2117046

SCHEMBL2117046

Cc1c(F)ccc2cc([C@H](C)Nc3ccnc4ccnn34)c(N3CCN(C(=O)C(C)(C)C)CC3)nc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.34
IDE P14735 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRK1 P41145 7/20 0.33
CYP3A4 P08684 3/20 0.33
CYP3A5 P20815 3/20 0.33
SOS1 Q07889 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
AKT1 P31749 1/20 0.31
P2RX3 P56373 1/20 0.31

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
SCHEMBL2117052 1.00 TP53 (0.35) TP53MAPTMEN1IDEKMT2A
SCHEMBL2114696 0.91 P2RX3 (0.38) OPRK1SOS1PIK3CDAKT1P2RX3
SCHEMBL2114702 0.91 P2RX3 (0.38) OPRK1SOS1PIK3CDAKT1P2RX3
SCHEMBL2114085 0.91 OPRK1 (0.34) MEN1KMT2AOPRK1SOS1PIK3CD
SCHEMBL2115362 0.90 OPRK1 (0.34) MEN1KMT2AOPRK1PIK3CDPIK3R1
SCHEMBL2113805 0.90 P2RX3 (0.34) MEN1KMT2AOPRK1SOS1HTT
SCHEMBL2113556 0.89 P2RX3 (0.35) TP53MAPTMEN1KMT2AOPRK1
SCHEMBL2113554 0.89 P2RX3 (0.35) TP53MAPTMEN1KMT2AOPRK1
SCHEMBL2113700 0.89 ABCB1 (0.36) MAPTOPRK1ALDH1A1HTT
SCHEMBL2113546 0.89 KCNH2 (0.37) MAPTOPRK1CYP3A4CYP3A5SOS1

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 TP53 2038/4885MAPT 1441/4885MEN1 3999/4885

“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.