SCHEMBL1318215

SCHEMBL1318215

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 7/20 0.35
▸ FFAR4 Q5NUL3 3/20 0.35
▸ HRH4 Q9H3N8 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ AURKA O14965 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ GPBAR1 Q8TDU6 5/20 0.34
▸ ERG P11308 3/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ RET P07949 1/20 0.33

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
SCHEMBL1318597 0.93 CHRM2 (0.34) KHKFFAR4HRH4HRH3AURKA
SCHEMBL1317620 0.90 CYP11B1 (0.41) AURKAPDPK1AURKBRET
SCHEMBL1317808 0.87 AURKA (0.45) KHKAURKAPDPK1AURKB
SCHEMBL3131514 0.82 CCNC (0.40) AURKAPDPK1AURKB
SCHEMBL1318715 0.81 AURKA (0.43) KHKAURKAPDPK1AURKBLRRK2
SCHEMBL12119790 0.80 JAK3 (0.53) AURKAPDPK1AURKBRET
SCHEMBL1317316 0.79 CCNC (0.37) HRH4HRH3
SCHEMBL1317616 0.78 KDM1A (0.43) HRH4HRH3AURKAPDPK1AURKB
SCHEMBL1317305 0.78 KDM1A (0.43) HRH4HRH3AURKAPDPK1AURKB
SCHEMBL1320358 0.78 KDM1A (0.43) HRH4HRH3AURKAPDPK1AURKB

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 3 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
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 — — EP 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 KHK 273/4885FFAR4 1847/4885HRH4 677/4885

“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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