SCHEMBL2977811

SCHEMBL2977811

COc1cccc(-c2ccc(-c3ccnc(NCCN4CCNC4=O)n3)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.49
RAF1 P04049 11/20 0.49
MKNK1 Q9BUB5 2/20 0.47
DYRK1A Q13627 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
CLK1 P49759 1/20 0.46
DYRK1B Q9Y463 1/20 0.45
RAD52 P43351 1/20 0.44
HPGDS O60760 1/20 0.43
NMT1 P30419 1/20 0.43
IRAK1 P51617 1/20 0.42
IRAK4 Q9NWZ3 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
SCHEMBL2988386 0.91 SCN9A (0.44) BRAFRAF1MKNK1DYRK1ACLK4
SCHEMBL2983500 0.88 BRAF (0.46) BRAFRAF1MKNK1IRAK1IRAK4
SCHEMBL2983611 0.84 BRAF (0.47) BRAFRAF1MKNK1IRAK1IRAK4
SCHEMBL2986254 0.84 BRAF (0.43) BRAFRAF1MKNK1HPGDSIRAK1
SCHEMBL2986664 0.83 BRAF (0.45) BRAFRAF1MKNK1CLK1IRAK1
SCHEMBL27708193 0.82 BRAF (0.44) BRAFRAF1HPGDSNMT1IRAK1
SCHEMBL2972099 0.81 BRAF (0.47) BRAFRAF1MKNK1CLK1IRAK1
SCHEMBL2988388 0.81 BRAF (0.49) BRAFRAF1MKNK1CLK1IRAK1
SCHEMBL2974896 0.81 SCN9A (0.49) BRAFRAF1IRAK1IRAK4
SCHEMBL2983786 0.80 JAK2 (0.44) BRAFRAF1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 BRAF 841/4885RAF1 1089/4885MKNK1 243/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885RAF1 1089/4885MKNK1 243/4885

“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.