SCHEMBL1318597

SCHEMBL1318597

CNc1nc(-c2cc(F)c(C#N)c(OC)c2)cc(N2CCC[C@@H](N(C(=O)O)C(C)(C)C)C2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ FFAR4 Q5NUL3 4/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ GALR2 O43603 1/20 0.33
▸ GALR1 P47211 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ KHK P50053 5/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ RET P07949 1/20 0.32
▸ ITGB2 P05107 1/20 0.32

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
SCHEMBL1318215 0.93 KHK (0.35) FFAR4AURKAPDPK1AURKBLRRK2
SCHEMBL1318715 0.88 AURKA (0.43) CHRM2CHRM5CHRM1ADORA2AADORA1
SCHEMBL1317620 0.85 CYP11B1 (0.41) AURKAPDPK1AURKBRET
SCHEMBL12119798 0.82 JAK3 (0.49) AURKAPDPK1AURKBRET
SCHEMBL1317910 0.81 PDPK1 (0.48) AURKAPDPK1AURKB
SCHEMBL1317808 0.81 AURKA (0.45) ADORA1AURKAPDPK1AURKBKHK
SCHEMBL1318421 0.78 AURKA (0.41) CHRM2CHRM5CHRM1ADORA2AADORA1
SCHEMBL3131514 0.76 CCNC (0.40) AURKAPDPK1AURKB
SCHEMBL1317860 0.76 ADORA1 (0.37) ADORA2AADORA1LRRK2KHKMAPT
SCHEMBL1317696 0.76 ADORA1 (0.38) CHRM2CHRM5CHRM1ADORA2AADORA1

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-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 CHRM2 2477/4885CHRM5 2273/4885CHRM1 2146/4885

“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.

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