SCHEMBL4824433

SCHEMBL4824433

Nc1ccc2nc(-c3cccc(C(F)(F)F)c3)cc(N)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.57
XDH P47989 1/20 0.50
ACHE P22303 1/20 0.48
MCHR1 Q99705 1/20 0.47
EGFR P00533 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
CTSS P25774 1/20 0.44
KMO O15229 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
IDO1 P14902 1/20 0.43
ATR Q13535 1/20 0.42
SYK P43405 1/20 0.42
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL4823657 0.82 ACHE (0.51) ABCG2ACHEADORA2A
SCHEMBL4251050 0.82 XDH (0.48) ABCG2XDHACHEEGFRADORA2A
SCHEMBL4824379 0.81 ACHE (0.71) ACHEMCHR1ADORA2AADORA1
SCHEMBL4825564 0.79 ACHE (0.51) ACHEEGFRADORA2AADORA1
SCHEMBL4816251 0.79 ACHE (0.51) ACHEEGFRMAPK1ADORA2AADORA1
SCHEMBL15170245 0.78 XDH (0.52) ABCG2XDHACHETSHRMAPK1
SCHEMBL22983973 0.76 ACHE (0.64) ACHEMCHR1ADORA2AADORA1
SCHEMBL5742700 0.76 MCHR1 (0.52) ABCG2MCHR1CA12CA1CA2
SCHEMBL4817642 0.76 KDM4E (0.65) ABCG2ACHEADORA2A
SCHEMBL5346361 0.76 ACHE (0.48) ACHEADORA2AADORA1CTSSIDO1

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-7348340-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2008-03-25 US disclosed
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2007-06-07 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-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G ABCG2 1064/4885XDH 3292/4885ACHE 140/4885

“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.