SCHEMBL11924174

SCHEMBL11924174

N[C@@H]1CCCN(c2ccccc2NC(=O)c2nnc(-n3ncc4ccccc43)o2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 14/20 0.46
▸ PIM3 Q86V86 10/20 0.46
▸ PIM1 P11309 7/20 0.46
▸ MAP4K1 Q92918 1/20 0.46
▸ CHEK1 O14757 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PRKCA P17252 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ PRKCQ Q04759 1/20 0.42
▸ ATR Q13535 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL11924173 1.00 PIM2 (0.46) PIM2PIM3PIM1MAP4K1CHEK1
SCHEMBL11924176 0.92 PIM2 (0.56) PIM2PIM3PIM1PRKCAGSK3B
SCHEMBL11924182 0.92 PIM2 (0.56) PIM2PIM3PIM1PRKCAGSK3B
SCHEMBL11924017 0.86 PIM2 (0.47) PIM2PIM3PIM1MAP4K1CHEK1
SCHEMBL11924094 0.86 PIM2 (0.48) PIM2PIM3PIM1MAP4K1CHEK1
SCHEMBL11924020 0.86 PIM2 (0.47) PIM2PIM3PIM1MAP4K1CHEK1
SCHEMBL11924095 0.86 PIM2 (0.48) PIM2PIM3PIM1MAP4K1CHEK1
SCHEMBL11923885 0.84 ALDH1A1 (0.48) PIM2PIM3PIM1MAP4K1CHEK1
SCHEMBL11923886 0.84 ALDH1A1 (0.48) PIM2PIM3PIM1MAP4K1CHEK1
SCHEMBL11924238 0.81 CHEK1 (0.49) PIM2PIM3PIM1MAP4K1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669259-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-11 — — US disclosed
US-8669259-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-11 — — US disclosed
US-20120208826-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2012-08-16 — — US disclosed
US-20120208826-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2012-08-16 — — US disclosed
WO-2011025706-A2 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2011-03-03 — — 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-20120208826-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS CDK1, MTOR, GAK PIM2 829/4885PIM3 951/4885PIM1 641/4885

“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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