SCHEMBL248371

SCHEMBL248371

CCN(C(C)C)C(C)C.Clc1ncnc2nc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 6/20 0.46
▸ MAP3K5 Q99683 1/20 0.46
▸ PDPK1 O15530 2/20 0.44
▸ LRRK2 Q5S007 2/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ CHEK2 O96017 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ MARK3 P27448 1/20 0.44
▸ RPS6KA3 P51812 1/20 0.44
▸ PRKCD Q05655 1/20 0.44
▸ MARK2 Q7KZI7 1/20 0.44
▸ PAK1 Q13153 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43

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
SCHEMBL9082 0.80 LMNA (0.57) HTTMAP3K5PDPK1LRRK2CHEK1
SCHEMBL29559610 0.80 LMNA (0.57) HTTMAP3K5PDPK1LRRK2CHEK1
Iodomethane SCHEMBL27477608 0.79 LRRK2 (0.52) HTTMAP3K5PDPK1LRRK2CHEK1
SCHEMBL30834859 0.79 LMNA (0.55) HTTMAP3K5PDPK1LRRK2CHEK1
SCHEMBL8716028 0.79 LMNA (0.55) HTTMAP3K5PDPK1LRRK2CHEK1
SCHEMBL9798930 0.79 LMNA (0.55) HTTMAP3K5PDPK1LRRK2CHEK1
Water SCHEMBL27775008 0.79 LMNA (0.55) HTTMAP3K5PDPK1LRRK2CHEK1
Hydrochloric Acid SCHEMBL11162217 0.79 PI4KA (0.59) HTTMAP3K5PDPK1LRRK2CHEK1
SCHEMBL248369 0.77 CHEK1 (0.31) CHEK1
SCHEMBL11168006 0.75 HIF1A (0.45) HTTPDPK1LRRK2CHEK1AURKA

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
EP-2588469-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 — — EP disclosed
US-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-18 — — US disclosed
WO-2012003271-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 — — WO 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-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, MALT1 HTT 680/4885MAP3K5 742/4885PDPK1 1541/4885

“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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