SCHEMBL2115940

SCHEMBL2115940

Cc1c(F)ccc2cc(C(C)Nc3ccnc4ccnn34)c(N3CCN(c4ccccn4)CC3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 3/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
OPRK1 P41145 3/20 0.34
CHRNA7 P36544 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NOD2 Q9HC29 3/20 0.34
GAA P10253 1/20 0.34
OGA O60502 1/20 0.33
KCNN3 Q9UGI6 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2115939 1.00 ALDH1A1 (0.36) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL2115241 0.90 KDM4E (0.35) ALDH1A1MAPTKDM4EPOLBOPRK1
SCHEMBL2115242 0.90 KDM4E (0.35) ALDH1A1MAPTKDM4EPOLBOPRK1
SCHEMBL2115342 0.89 OPRK1 (0.38) ALDH1A1MAPTKDM4EPOLBHSD17B10
SCHEMBL2115344 0.89 OPRK1 (0.38) ALDH1A1MAPTKDM4EPOLBHSD17B10
SCHEMBL2118091 0.86 PIK3CD (0.35) OPRK1PIK3CDPIK3R1KCNN3
SCHEMBL2118093 0.86 PIK3CD (0.35) OPRK1PIK3CDPIK3R1KCNN3
SCHEMBL2114702 0.85 P2RX3 (0.38) OPRK1PIK3CD
SCHEMBL2114696 0.85 P2RX3 (0.38) OPRK1PIK3CD
SCHEMBL2114289 0.85 MEN1 (0.35) OPRK1PIK3CDPIK3R1OGAKMT2A

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 ALDH1A1 1059/4885MAPT 1441/4885LMNA 4449/4885

“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.