SCHEMBL4817705

SCHEMBL4817705

CNc1ccc2nc(-c3cccc(Cl)c3)cc(NC)c2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 11/20 0.52
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
MAP4K4 O95819 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 1/20 0.41
TERT O14746 1/20 0.41
PLK1 P53350 1/20 0.40

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
SCHEMBL4816411 0.85 ABCG2 (0.52) ACP1MAP4K4MEN1KMT2AMAOB
SCHEMBL4816022 0.79 ALDH1A1 (0.42) ACP1EGFRERBB2MEN1NPC1
SCHEMBL4021555 0.78 NT5E (0.48) ACP1MAP4K4MAOB
SCHEMBL4023370 0.76 NT5E (0.49) ACP1MAP4K4MAOB
SCHEMBL4032492 0.74 NT5E (0.45) ACP1MAP4K4MEN1KMT2AMAOB
SCHEMBL4826847 0.73 MAP4K4 (0.46) MAP4K4MEN1KMT2AMAOBTERT
SCHEMBL4031373 0.72 ABCG2 (0.52) ACP1MAP4K4MEN1KMT2AMAOB
SCHEMBL4028750 0.71 ABCG2 (0.48) ACP1MAP4K4MEN1KMT2AMAOB
SCHEMBL4025363 0.71 ABCG2 (0.48) ACP1MAP4K4MEN1KMT2AMAOB
SCHEMBL4823113 0.71 ABCG2 (0.48) ACP1MAP4K4MEN1KMT2AMAOB

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 ACP1 2923/4885EGFR 4475/4885ERBB2 3895/4885

“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.