SCHEMBL11923885

SCHEMBL11923885

N[C@@H]1CCCN(c2ccccc2NC(=O)c2ccc(-n3ncc4ccccc43)o2)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CSF1R P07333 5/20 0.47
▸ MAP4K1 Q92918 1/20 0.46
▸ PIM2 Q9P1W9 10/20 0.46
▸ PIM3 Q86V86 6/20 0.46
▸ PIM1 P11309 4/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CHEK1 O14757 1/20 0.44

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
SCHEMBL11923886 1.00 ALDH1A1 (0.48) ALDH1A1HTTKDM4ENPC1TP53
SCHEMBL11923888 0.92 PIM2 (0.57) PIM2PIM3PIM1
SCHEMBL11923884 0.92 PIM2 (0.57) PIM2PIM3PIM1
SCHEMBL12831082 0.87 CSF1R (0.62) ALDH1A1HTTKDM4ENPC1TP53
SCHEMBL11924020 0.87 PIM2 (0.47) ALDH1A1HTTKDM4ENPC1TP53
SCHEMBL11924094 0.87 PIM2 (0.48) ALDH1A1HTTKDM4ENPC1TP53
SCHEMBL11924017 0.87 PIM2 (0.47) ALDH1A1HTTKDM4ENPC1TP53
SCHEMBL11924095 0.87 PIM2 (0.48) ALDH1A1HTTKDM4ENPC1TP53
SCHEMBL11924173 0.84 PIM2 (0.46) ALDH1A1HTTKDM4ENPC1TP53
SCHEMBL11924174 0.84 PIM2 (0.46) ALDH1A1HTTKDM4ENPC1TP53

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
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

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 ALDH1A1 2722/4885HTT 468/4885KDM4E 1524/4885

“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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