SCHEMBL2115419

SCHEMBL2115419

CC(=O)N1CCN(c2nc3c(C)c(F)ccc3cc2CNc2ccnc3ccnn23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.44
ACHE P22303 2/20 0.37
DPP4 P27487 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 3/20 0.35
ALOX15 P16050 3/20 0.35
ALOX12 P18054 3/20 0.35
GFER P55789 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AKT1 P31749 1/20 0.34
WNT3A P56704 1/20 0.34
LMNA P02545 1/20 0.34
CNR2 P34972 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
SCHEMBL2113761 0.88 PIK3CD (0.43) PIK3CDACHEABCG2KDM4EGAA
SCHEMBL2114702 0.85 P2RX3 (0.38) PIK3CDABCG2AKT1CNR2
SCHEMBL2114696 0.85 P2RX3 (0.38) PIK3CDABCG2AKT1CNR2
SCHEMBL2113554 0.78 P2RX3 (0.35) PIK3CDGAAMAPTMEN1KMT2A
SCHEMBL2113556 0.78 P2RX3 (0.35) PIK3CDGAAMAPTMEN1KMT2A
SCHEMBL2114085 0.77 OPRK1 (0.34) PIK3CDMEN1KMT2AAKT1
SCHEMBL2115362 0.77 OPRK1 (0.34) PIK3CDMEN1KMT2AAKT1
SCHEMBL2113805 0.77 P2RX3 (0.34) PIK3CDMEN1KMT2AAKT1
SCHEMBL2116019 0.76 PIK3CD (0.46) PIK3CDDPP4ABCG2GFERALDH1A1
SCHEMBL2117046 0.76 TP53 (0.35) PIK3CDMAPTALDH1A1MEN1KMT2A

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 PIK3CD 6/4885ACHE 625/4885DPP4 576/4885

“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.