SCHEMBL5129246

SCHEMBL5129246

Cc1ccccc1-c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2C(F)c2cccc(F)c2F)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.40
ADORA1 P30542 2/20 0.40
CTSA P10619 6/20 0.38
KLKB1 P03952 3/20 0.36
HSD17B13 Q7Z5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
P2RX7 Q99572 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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 0.85 P2RX7 (0.44) ADORA2AADORA1KLKB1HSD17B13ALDH1A1
SCHEMBL5129241 0.82 P2RX7 (0.41) ADORA2AADORA1HSD17B13ALDH1A1MAPK1
SCHEMBL5249953 0.80 P2RX7 (0.48) HSD17B13P2RX7
SCHEMBL5129244 0.80 P2RX7 (0.39) ADORA2AADORA1HSD17B13ALDH1A1MAPK1
SCHEMBL5129254 0.77 ALDH1A1 (0.47) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5128797 0.74 P2RX7 (0.44) ADORA2AADORA1ALDH1A1P2RX7
SCHEMBL5117478 0.74 MEN1 (0.48) ADORA2AADORA1ALDH1A1MAPK1L3MBTL1
SCHEMBL5130148 0.73 ALDH1A1 (0.54) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL5121872 0.72 ROCK2 (0.50) ADORA2AALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL5130363 0.71 P2RX7 (0.48) ALDH1A1P2RX7

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 ADORA2A 1965/4885ADORA1 1036/4885CTSA 1897/4885

“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.