SCHEMBL20533759

SCHEMBL20533759

Cc1cc(CNc2cc(N3CC(F)(F)C3)nc3c(-c4ccc5c(c4)c(C)nn5C)c(C)nn23)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 7/20 0.38
ALDH1A1 P00352 6/20 0.37
HPGD P15428 4/20 0.37
USP2 O75604 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 8/20 0.36
MAPT P10636 7/20 0.36
NPSR1 Q6W5P4 4/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
HSP90AA1 P07900 2/20 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
SCHEMBL20533896 0.90 ALDH1A1 (0.40) PI4KBALDH1A1HPGDUSP2HSD17B10
SCHEMBL20533571 0.86 PI4KB (0.50) PI4KBALDH1A1HPGDKDM4EMAPT
SCHEMBL20533594 0.84 ALDH1A1 (0.36) PI4KBALDH1A1HPGDUSP2HSD17B10
SCHEMBL20533906 0.83 PI4KB (0.45) PI4KBALDH1A1HPGDKDM4EMAPT
SCHEMBL20533928 0.82 PI4KB (0.48) PI4KBALDH1A1HPGDKDM4EMAPT
SCHEMBL20533667 0.80 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL20533927 0.76 PI4KB (0.52) PI4KBALDH1A1HPGDKDM4EMAPT
SCHEMBL21628158 0.73 PI4KB (0.59) PI4KBALDH1A1HPGDUSP2HSD17B10
SCHEMBL21628162 0.72 PI4KB (0.73) PI4KBALDH1A1HPGDUSP2HSD17B10
SCHEMBL20528890 0.72 PI4KB (0.60) PI4KBALDH1A1HPGDUSP2HSD17B10

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 PI4KB 3/4885ALDH1A1 3654/4885HPGD 3977/4885

“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.