SCHEMBL13015539

SCHEMBL13015539

Cc1ccc2c(c1)n(C)c(=O)n2-c1csc(C(=O)Nc2cnccc2N2CCNCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 15/20 0.51
▸ HDAC2 Q92769 3/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ IGF1R P08069 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ AKT1 P31749 1/20 0.48
▸ RPS6KA3 P51812 1/20 0.48
▸ NEK2 P51955 1/20 0.48
▸ STK3 Q13188 1/20 0.48
▸ CAMK4 Q16566 1/20 0.48
▸ TSSK2 Q96PF2 1/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.48
▸ PIM1 P11309 2/20 0.45
▸ PIM3 Q86V86 2/20 0.45
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC3 O15379 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
SCHEMBL13015474 0.91 CHEK1 (0.56) CHEK1HDAC2JAK2ROCK2IGF1R
SCHEMBL13015527 0.90 CHEK1 (0.58) CHEK1HDAC2JAK2ROCK2IGF1R
SCHEMBL13015564 0.90 CHEK1 (0.51) CHEK1HDAC2JAK2ROCK2IGF1R
SCHEMBL13015591 0.88 CHEK1 (0.51) CHEK1HDAC2JAK2ROCK2IGF1R
SCHEMBL13015531 0.88 CHEK1 (0.58) CHEK1HDAC2JAK2ROCK2IGF1R
SCHEMBL13015592 0.88 CHEK1 (0.45) CHEK1HDAC2JAK2ROCK2IGF1R
SCHEMBL13015597 0.87 CHEK1 (0.46) CHEK1HDAC2JAK2ROCK2IGF1R
SCHEMBL13015551 0.86 CHEK1 (0.50) CHEK1HDAC2JAK2ROCK2IGF1R
SCHEMBL13015537 0.86 CHEK1 (0.51) CHEK1HDAC2JAK2ROCK2IGF1R
SCHEMBL13015557 0.85 CHEK1 (0.48) CHEK1HDAC2JAK2ROCK2IGF1R

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 CHEK1 265/4885HDAC2 482/4885JAK2 31/4885

“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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