SCHEMBL2116472

SCHEMBL2116472

Cc1c(F)ccc2cc(C(C)Nc3ccnc4ccnn34)c(N3CCN(C(=O)c4cccs4)CC3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL2116470 1.00 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTMAPK1TSHR
SCHEMBL2113702 0.89 ABCB1 (0.36) ALDH1A1L3MBTL1MAPTTSHRKDM4E
SCHEMBL2113700 0.89 ABCB1 (0.36) ALDH1A1L3MBTL1MAPTTSHRKDM4E
SCHEMBL2114702 0.87 P2RX3 (0.38)
SCHEMBL2114696 0.87 P2RX3 (0.38)
SCHEMBL2114085 0.87 OPRK1 (0.34) MEN1KMT2A
SCHEMBL2115362 0.86 OPRK1 (0.34) MEN1KMT2A
SCHEMBL2113805 0.86 P2RX3 (0.34) MEN1KMT2A
SCHEMBL2113554 0.85 P2RX3 (0.35) L3MBTL1MAPTTSHRLMNAMEN1
SCHEMBL2113556 0.85 P2RX3 (0.35) L3MBTL1MAPTTSHRLMNAMEN1

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 ALDH1A1 1059/4885L3MBTL1 4171/4885MAPT 1441/4885

“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.