SCHEMBL13015322

SCHEMBL13015322

COCCOc1cc2c(cc1OCCOC)C(=O)N(C(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.41
▸ MAP3K5 Q99683 3/20 0.39
▸ BRD4 O60885 1/20 0.37
▸ PLK1 P53350 1/20 0.37
▸ SLC18A2 Q05940 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ KDM1A O60341 1/20 0.34

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
SCHEMBL12043669 0.82 MEN1 (0.51) KCNH2MAP3K5BRD4PLK1MEN1
SCHEMBL13062604 0.81 MEN1 (0.48) SLC18A2MEN1KMT2AKDM1A
SCHEMBL13322655 0.81 KCNH2 (0.44) KCNH2MAP3K5MEN1KMT2A
SCHEMBL13322646 0.81 MAP3K5 (0.52) MAP3K5MEN1KMT2A
SCHEMBL15128183 0.80 MEN1 (0.37) SLC18A2MEN1KMT2AKDM1A
SCHEMBL13322647 0.78 OPRK1 (0.42) KCNH2MAP3K5
SCHEMBL13322649 0.78 MAP3K5 (0.50) MAP3K5
SCHEMBL20132959 0.72 VHL (0.43) KCNH2
SCHEMBL3965311 0.70 MAOB (0.38) BRD4MEN1KMT2A
SCHEMBL16519555 0.70 KDM1A (0.39) SLC18A2MEN1KMT2AKDM1A

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-8318735-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-11-27 — — US disclosed
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors SCHERING CORPORATION 2010-12-30 — — US disclosed
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-05-27 — — 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 (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-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors DAPK2, DAPK1, JAK1 KCNH2 4229/4885MAP3K5 5/4885BRD4 815/4885
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 KCNH2 2419/4885MAP3K5 8/4885BRD4 860/4885

“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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