SCHEMBL13015583

SCHEMBL13015583

CCOC(=O)Nc1ccc2[nH]c(=O)n(C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.51
▸ LRRK2 Q5S007 1/20 0.49
▸ PSMB8 P28062 1/20 0.49
▸ KCNQ2 O43526 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ HSD17B10 Q99714 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ LMNA P02545 2/20 0.45

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
SCHEMBL12207033 0.82 PSMB8 (0.49) ADORA3LRRK2PSMB8ALDH1A1BRD4
SCHEMBL11548746 0.79 PSMB8 (0.54) LRRK2PSMB8ALDH1A1HPGDCYP1A2
SCHEMBL27056782 0.76 PSMB8 (0.51) LRRK2PSMB8BRD4HSD17B10SMN1; SMN2
SCHEMBL12361997 0.74 LMNA (0.53) ADORA3LRRK2PSMB8BRD4LMNA
SCHEMBL12903454 0.72 ALDH1A1 (0.51) ALDH1A1HPGDNPC1RAB9ACYP1A2
SCHEMBL7565510 0.72 RAB9A (0.71) ALDH1A1HPGDNPC1RAB9ACYP1A2
SCHEMBL8695232 0.71 ELANE (0.54) KCNQ2ALDH1A1HPGDNPC1RAB9A
SCHEMBL28490404 0.71 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9ACYP1A2
SCHEMBL29522898 0.71 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9ACYP1A2
SCHEMBL7483289 0.70 MAOA (0.66) KCNQ2NPC1RAB9ACYP1A2CYP3A4

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-8476278-B2 Thiazole Derivatives as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-02 — — US disclosed
US-8476278-B2 Thiazole Derivatives as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-02 — — US disclosed
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors SCHERING CORPORATION 2010-12-30 — — 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 (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-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors DAPK2, DAPK1, JAK1 ADORA3 3997/4885LRRK2 540/4885PSMB8 2790/4885

“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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