SCHEMBL20121220

SCHEMBL20121220

Cc1c(F)cncc1CO

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDXK O00764 2/20 0.37
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.32
LMNA P02545 2/20 0.32
ABL1 P00519 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AOX1 Q06278 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CYP11B2 P19099 1/20 0.30
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL16310627 0.80 LOXL2 (0.33) LOXL2CYP11B2
SCHEMBL23143280 0.78 LOXL2 (0.50) LOXL2
SCHEMBL15417760 0.77 PDXK (0.39) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13403322 0.76 PDXK (0.42) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31489114 0.76 PDXK (0.39) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL17553885 0.76 PDXK (0.38) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6874690 0.75
SCHEMBL20887505 0.74 PDXK (0.37) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5794503 0.74 PDXK (0.37) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31491027 0.74 PDXK (0.34) PDXKLOXL2

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-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 US disclosed
US-9963456-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD (JP) 2018-05-08 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-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF KRAS, DPYD, PSTPIP2 PDXK 568/4885KDM4E 697/4885ALDH1A1 1400/4885

“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.