SCHEMBL1317824

SCHEMBL1317824

CC(C)N(C(=O)O)[C@@H]1CCCN(c2cc(-c3ccc(C#N)c(F)c3)nc(N)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 11/20 0.43
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ PDPK1 O15530 8/20 0.40
▸ AURKB Q96GD4 7/20 0.40
▸ AURKA O14965 6/20 0.40
▸ ROCK1 Q13464 3/20 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
SCHEMBL1319497 0.88 CYP11B1 (0.44) KDM1ACYP11B1CYP11B2PDPK1AURKB
SCHEMBL1317162 0.88 CYP11B1 (0.43) KDM1ACYP11B1CYP11B2PDPK1AURKB
SCHEMBL1317616 0.87 KDM1A (0.43) KDM1ACYP11B1CYP11B2PDPK1AURKB
SCHEMBL1317305 0.87 KDM1A (0.43) KDM1ACYP11B1CYP11B2PDPK1AURKB
SCHEMBL1320358 0.87 KDM1A (0.43) KDM1ACYP11B1CYP11B2PDPK1AURKB
SCHEMBL1317948 0.87 PDPK1 (0.43) KDM1ACYP11B1CYP11B2PDPK1AURKB
SCHEMBL1318556 0.84 PDPK1 (0.42) KDM1ACYP11B1CYP11B2PDPK1AURKB
SCHEMBL1318149 0.83 PDPK1 (0.49) KDM1ACYP11B1CYP11B2PDPK1AURKB
SCHEMBL12122325 0.81 KDM1A (0.51) KDM1ACYP11B1CYP11B2PDPK1
SCHEMBL16966526 0.81 PDPK1 (0.53) KDM1ACYP11B1CYP11B2PDPK1AURKB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP disclosed
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 KDM1A 1582/4885CYP11B1 634/4885CYP11B2 837/4885

“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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