SCHEMBL13156366

SCHEMBL13156366

CC(C)(C)OC(=O)N1CCN(c2ccncc2NC(=O)c2csc(N3CCCC3)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 10/20 0.60
PIM3 Q86V86 10/20 0.60
CHEK1 O14757 9/20 0.56
PIM2 Q9P1W9 8/20 0.51
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
BACE1 P56817 1/20 0.46

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
SCHEMBL13156288 0.89 PIM1 (0.57) PIM1PIM3CHEK1PIM2BACE1
SCHEMBL13156380 0.88 PIM1 (0.51) PIM1PIM3CHEK1PIM2JAK2
SCHEMBL2849949 0.88 PIM1 (0.55) PIM1PIM3CHEK1PIM2JAK2
SCHEMBL13156857 0.88 PIM1 (0.55) PIM1PIM3CHEK1PIM2JAK2
SCHEMBL13156354 0.88 CHEK1 (0.59) PIM1PIM3CHEK1JAK2ROCK2
SCHEMBL12550556 0.87 PIM1 (0.55) PIM1PIM3CHEK1PIM2JAK2
SCHEMBL14216463 0.87 PIM1 (0.55) PIM1PIM3CHEK1PIM2JAK2
SCHEMBL13156858 0.87 CHEK1 (0.49) PIM1PIM3CHEK1PIM2JAK2
SCHEMBL13156356 0.85 CHEK1 (0.53) PIM1PIM3CHEK1PIM2JAK2
SCHEMBL13156304 0.85 CHEK1 (0.49) PIM1PIM3CHEK1PIM2JAK2

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-8318735-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 US disclosed
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-05-27 US disclosed
WO-2008054749-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-05-08 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 (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-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB PIM1 644/4885PIM3 811/4885CHEK1 61/4885
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 PIM1 1445/4885PIM3 1645/4885CHEK1 395/4885

“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.