SCHEMBL13027447

SCHEMBL13027447

COc1ccc2c(c1)CCN(c1cccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 18/20 0.60
▸ IRAK4 Q9NWZ3 2/20 0.60
▸ JAK2 O60674 1/20 0.60
▸ ROCK2 O75116 1/20 0.60
▸ IGF1R P08069 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ AKT1 P31749 1/20 0.60
▸ RPS6KA3 P51812 1/20 0.60
▸ NEK2 P51955 1/20 0.60
▸ STK3 Q13188 1/20 0.60
▸ CAMK4 Q16566 1/20 0.60
▸ TSSK2 Q96PF2 1/20 0.60
▸ PIM1 P11309 1/20 0.44
▸ PIM3 Q86V86 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
SCHEMBL13027398 0.94 CHEK1 (0.62) CHEK1IRAK4JAK2ROCK2IGF1R
SCHEMBL13027461 0.91 CHEK1 (0.60) CHEK1IRAK4JAK2ROCK2IGF1R
SCHEMBL13027437 0.88 CHEK1 (0.66) CHEK1IRAK4JAK2ROCK2IGF1R
SCHEMBL13028172 0.87 CHEK1 (0.63) CHEK1IRAK4JAK2ROCK2IGF1R
SCHEMBL13027422 0.86 CHEK1 (0.68) CHEK1IRAK4JAK2ROCK2IGF1R
SCHEMBL13027416 0.86 CHEK1 (0.62) CHEK1IRAK4JAK2ROCK2IGF1R
SCHEMBL13027391 0.85 CHEK1 (0.56) CHEK1IRAK4JAK2ROCK2IGF1R
SCHEMBL13027387 0.85 CHEK1 (0.76) CHEK1IRAK4JAK2ROCK2IGF1R
SCHEMBL13027388 0.85 CHEK1 (0.67) CHEK1IRAK4JAK2ROCK2IGF1R
SCHEMBL13027675 0.84 CHEK1 (0.58) CHEK1IRAK4JAK2ROCK2IGF1R

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-8293747-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-10-23 — — US disclosed
US-8293747-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-10-23 — — US disclosed
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-11-11 — — US disclosed
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-11-11 — — 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-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS MTOR, CDK1, MAP3K8 CHEK1 113/4885IRAK4 525/4885JAK2 115/4885

“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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