SCHEMBL20533898

SCHEMBL20533898

COc1ccc(-c2c(C)nn3c(N(Cc4cc(C)nn4C)C(=O)O)cc(N4CCN(C(C)=O)CC4)nc23)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.48
MAPT P10636 7/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
CASP1 P29466 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CRHR1 P34998 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL20533584 0.94 SMPD3 (0.43) SMPD3MAPTHSD17B10LMNACASP1
SCHEMBL20534146 0.92 SMPD3 (0.40) SMPD3MAPTHSD17B10LMNACASP1
SCHEMBL20533569 0.88 CRHR1 (0.44) SMPD3MAPTHSD17B10LMNACASP1
SCHEMBL20533764 0.88 SMPD3 (0.34) SMPD3MAPTHSD17B10LMNACASP1
SCHEMBL20533686 0.87 SMPD3 (0.46) SMPD3MAPTHSD17B10LMNACASP1
SCHEMBL20533936 0.86 CRHR1 (0.43) MAPTHSD17B10LMNACASP1L3MBTL1
SCHEMBL20533588 0.85 SMPD3 (0.45) SMPD3MAPTHSD17B10LMNACASP1
SCHEMBL20533549 0.83 SMPD3 (0.50) SMPD3MAPTHSD17B10LMNACASP1
SCHEMBL20533672 0.83 CRHR1 (0.40) SMPD3MAPTHSD17B10LMNACASP1
SCHEMBL20533961 0.82 GBA1 (0.37) SMPD3

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-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-10-18 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-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors PI4KA, PI4K2B, PI4KB SMPD3 2463/4885MAPT 2367/4885HSD17B10 2839/4885

“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.