SCHEMBL20121221

SCHEMBL20121221

COc1ncc(CO)c(C)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PDXK O00764 2/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
AOX1 Q06278 1/20 0.37
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
DPP4 P27487 1/20 0.36
GFER P55789 1/20 0.35
CHRM4 P08173 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL18306471 0.75 PIK3CA (0.36) MAPTPIK3CAHTTPIK3R1
SCHEMBL3392208 0.74 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10PDXK
SCHEMBL19330231 0.74 MEN1 (0.39) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL17384691 0.73 KMT2A (0.37) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL5008455 0.73 PDE4A (0.41) HSD17B10DPP4CYP11B1CYP11B2PDE4A
SCHEMBL31342297 0.72 ULK1 (0.37) GAAPIK3CAHTT
SCHEMBL19783692 0.72 ULK1 (0.37) GAAPIK3CAHTT
SCHEMBL19783681 0.72 AURKA (0.42) KDM4EALDH1A1GAAMAPTPIK3CA
SCHEMBL17431419 0.70 LMNA (0.44) KDM4EALDH1A1HPGDHSD17B10PDXK
SCHEMBL5780868 0.70 SLC13A5 (0.50) KDM4EALDH1A1HPGDHSD17B10MEN1

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 KDM4E 697/4885ALDH1A1 1400/4885HPGD 468/4885

“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.