SCHEMBL798600

SCHEMBL798600

Nc1ccc(N2CCCC(N)C2)c(NC(=O)c2csc(-c3cnn(Cc4cccc(F)c4)c3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 17/20 0.57
▸ PIM2 Q9P1W9 16/20 0.57
▸ PIM3 Q86V86 15/20 0.57
▸ SCD O00767 2/20 0.44
▸ SCD5 Q86SK9 2/20 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
SCHEMBL798601 1.00 PIM1 (0.57) PIM1PIM2PIM3SCDSCD5
SCHEMBL15052557 0.94 PIM2 (0.56) PIM1PIM2PIM3
SCHEMBL15052556 0.94 PIM2 (0.56) PIM1PIM2PIM3
SCHEMBL797560 0.93 PIM2 (0.65) PIM1PIM2PIM3
SCHEMBL797559 0.93 PIM2 (0.65) PIM1PIM2PIM3
SCHEMBL798168 0.92 PIM2 (0.55) PIM1PIM2PIM3
SCHEMBL798167 0.92 PIM2 (0.55) PIM1PIM2PIM3
SCHEMBL12486060 0.91 PIM1 (0.52) PIM1PIM2PIM3
SCHEMBL791242 0.91 PIM1 (0.52) PIM1PIM2PIM3
SCHEMBL15051938 0.90 PIM2 (0.64) PIM1PIM2PIM3

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
EP-2616451-A1 NOVEL THIAZOL-CARBOXIMIDE DERIVATIVES AS PDK1 INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-24 — — EP claimed
US-20130165450-A1 Novel Thiazol-Carboximide Derivatives as PDK1 Inhibitors TSUI HON-CHUNG (CN) 2013-06-27 — — US claimed
WO-2012036974-A1 NOVEL THIAZOL-CARBOXIMIDE DERIVATIVES AS PDK1 INHIBITORS SCHERING CORPORATION (US) 2012-03-22 — — WO claimed
US-20130165450-A1 Novel Thiazol-Carboximide Derivatives as PDK1 Inhibitors TSUI HON-CHUNG (CN) 2013-06-27 — — 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-20130165450-A1 Novel Thiazol-Carboximide Derivatives as PDK1 Inhibitors PDK1, PDPK1, PDK2 PIM1 36/4885PIM2 41/4885PIM3 63/4885

“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.

Send feedback