SCHEMBL13062559

SCHEMBL13062559

CNc1cnccc1N1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 4/20 0.53
▸ PIM3 Q86V86 1/20 0.53
▸ ADRB2 P07550 2/20 0.47
▸ NCF1 P14598 2/20 0.47
▸ PLD1 Q13393 1/20 0.47
▸ CHEK1 O14757 5/20 0.45
▸ PIM2 Q9P1W9 4/20 0.45
▸ LATS1 O95835 1/20 0.44
▸ ATR Q13535 2/20 0.43
▸ ROCK1 Q13464 2/20 0.42
▸ CDC42BPB Q9Y5S2 2/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ PRKCQ Q04759 1/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ ROCK2 O75116 1/20 0.42

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
SCHEMBL11888062 0.94 CHRNB2 (0.51) PIM1PIM3ADRB2NCF1PLD1
SCHEMBL13322704 0.86 DRD2 (0.46) PIM1PIM3ATRROCK1CDC42BPB
SCHEMBL14217881 0.83 PIM1 (0.50) PIM1PIM3ADRB2NCF1PLD1
SCHEMBL13322703 0.82 CHRNB2 (0.43) PIM1PIM3CHEK1PIM2ROCK1
SCHEMBL14328421 0.82 PIM1 (0.52) PIM1PIM3PIM2ROCK1PRKCA
SCHEMBL13322700 0.81 ALDH1A1 (0.45) PIM1PIM3ATRROCK1CDC42BPB
SCHEMBL13322708 0.81 ROCK1 (0.43) PIM1PIM3PIM2ATRROCK1
SCHEMBL13322711 0.81 ROCK1 (0.54) PIM1PIM3ATRROCK1CDC42BPB
SCHEMBL14052146 0.80 PIM1 (0.53) PIM1PIM3ADRB2NCF1PLD1
SCHEMBL11888027 0.80 CHRNB2 (0.49) PIM1PIM3ADRB2NCF1PLD1

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-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 — — US disclosed
EP-2078002-B1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2013-08-28 — — EP disclosed
US-8476278-B2 Thiazole Derivatives as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-02 — — US disclosed
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2012-12-27 — — US disclosed
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors SCHERING CORPORATION 2010-12-30 — — 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 (2 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-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors DAPK2, DAPK1, JAK1 PIM1 701/4885PIM3 853/4885ADRB2 4137/4885
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MAPK15, CDK15, MAPKAPK5 PIM1 2719/4885PIM3 2561/4885ADRB2 2697/4885

“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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