SCHEMBL5129241

SCHEMBL5129241

Cc1ccccc1-c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2Cc2ccc(F)c(F)c2F)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.41
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
CHRM4 P08173 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNK3 O14649 1/20 0.35
KCNK5 O95279 1/20 0.35
KCNA5 P22460 1/20 0.35
KCNK17 Q96T54 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
CA2 P00918 1/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34

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
SCHEMBL5125401 0.87 P2RX7 (0.44) P2RX7ADORA2AADORA1ALDH1A1MAPK1
SCHEMBL5129246 0.82 ADORA2A (0.40) P2RX7ADORA2AADORA1ALDH1A1MAPK1
SCHEMBL5249953 0.82 P2RX7 (0.48) P2RX7HSD17B13
SCHEMBL5129244 0.80 P2RX7 (0.39) P2RX7ADORA2AADORA1ALDH1A1MAPK1
SCHEMBL5129254 0.79 ALDH1A1 (0.47) ALDH1A1L3MBTL1
SCHEMBL5128797 0.78 P2RX7 (0.44) P2RX7ADORA2AADORA1ALDH1A1
SCHEMBL5130363 0.75 P2RX7 (0.48) P2RX7ALDH1A1
SCHEMBL5130148 0.74 ALDH1A1 (0.54) ALDH1A1MAPK1
SCHEMBL5121872 0.74 ROCK2 (0.50) ADORA2AALDH1A1MAPK1
SCHEMBL5117478 0.74 MEN1 (0.48) ADORA2AADORA1ALDH1A1MAPK1L3MBTL1

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-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 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-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP P2RX7 1779/4885ADORA2A 1965/4885ADORA1 1036/4885

“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.