SCHEMBL20064693

SCHEMBL20064693

CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cc(N)n[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.43
CDK1 P06493 1/20 0.41
MAP4K4 O95819 1/20 0.40
TNIK Q9UKE5 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
SYK P43405 1/20 0.38
CYP17A1 P05093 2/20 0.37
HSD17B10 Q99714 1/20 0.37
RORC P51449 2/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
PSMB8 P28062 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL20064687 0.85 CA12 (0.44) KDRCDK1MAP4K4TNIKCA12
SCHEMBL20064692 0.82 KDR (0.57) KDRCDK1MAP4K4TNIKCYP17A1
SCHEMBL20073912 0.81 SMN1; SMN2 (0.47) KDRTNIKSRCMAPKAPK2
SCHEMBL31455580 0.76 CA12 (0.47) MAP4K4CA12CA1CA9SYK
SCHEMBL13193090 0.76 CA12 (0.47) MAP4K4CA12CA1CA9SYK
SCHEMBL29448767 0.76 CA12 (0.47) MAP4K4CA12CA1CA9SYK
SCHEMBL1094945 0.76 CA12 (0.47) MAP4K4CA12CA1CA9SYK
SCHEMBL30681937 0.74 HPGD (0.51) CA12CA1CA9SYKCYP17A1
SCHEMBL941486 0.74 HPGD (0.51) CA12CA1CA9SYKCYP17A1
SCHEMBL6816071 0.72 CA12 (0.48) MAP4K4CA12CA1CA9SYK

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-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 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-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP KDR 850/4885CDK1 176/4885MAP4K4 1590/4885

“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.