SCHEMBL11923948

SCHEMBL11923948

N[C@@H]1CCCN(c2ccccc2NC(=O)c2ccc(-n3ncc4ccccc43)s2)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.46
▸ MAP4K1 Q92918 1/20 0.46
▸ PIM2 Q9P1W9 16/20 0.46
▸ PIM3 Q86V86 14/20 0.46
▸ PIM1 P11309 10/20 0.46
▸ PRKCA P17252 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ PRKCQ Q04759 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
SCHEMBL11923950 1.00 CHEK1 (0.46) CHEK1MAP4K1PIM2PIM3PIM1
SCHEMBL11923953 0.92 PIM2 (0.57) PIM2PIM3PIM1PRKCAGSK3B
SCHEMBL11923952 0.92 PIM2 (0.57) PIM2PIM3PIM1PRKCAGSK3B
SCHEMBL11924234 0.84 CHEK1 (0.49) CHEK1MAP4K1PIM2PIM3PIM1
SCHEMBL11924238 0.84 CHEK1 (0.49) CHEK1MAP4K1PIM2PIM3PIM1
SCHEMBL16519608 0.82 CHEK1 (0.70) CHEK1MAP4K1PIM2PIM3PIM1
SCHEMBL13156785 0.82 CHEK1 (0.70) CHEK1MAP4K1PIM2PIM3PIM1
SCHEMBL13156781 0.82 CHEK1 (0.70) CHEK1MAP4K1PIM2PIM3PIM1
SCHEMBL13027496 0.82 PIM3 (0.50) CHEK1MAP4K1PIM2PIM3PIM1
SCHEMBL13027504 0.82 PIM3 (0.50) CHEK1MAP4K1PIM2PIM3PIM1

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 CHEK1 129/4885MAP4K1 30/4885PIM2 829/4885

“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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