SCHEMBL2974386

SCHEMBL2974386

Cc1ccsc1-c1ccnc(NCCN2C(=O)NC(=O)C2(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CDK2 P24941 5/20 0.38
CLK1 P49759 1/20 0.38
MKNK1 Q9BUB5 2/20 0.35
RAF1 P04049 3/20 0.34
BRAF P15056 3/20 0.34
EIF2AK2 P19525 4/20 0.33
CDC7 O00311 1/20 0.32
CDK7 P50613 2/20 0.32
CDK9 P50750 2/20 0.32
AURKA O14965 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
AURKB Q96GD4 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNE1 P24864 1/20 0.32
RAD52 P43351 1/20 0.32
SRC P12931 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL2986295 0.89 CDK2 (0.35) CDK2CLK1MKNK1RAF1BRAF
SCHEMBL3071448 0.89 CDK2 (0.35) CDK2CLK1MKNK1RAF1BRAF
SCHEMBL2986787 0.87 CDK2 (0.34) ALDH1A1CDK2CLK1MKNK1RAF1
SCHEMBL2971788 0.86 CDK2 (0.34) CDK2CLK1MKNK1RAF1BRAF
SCHEMBL2982460 0.85 EIF2AK2 (0.38) CDK2CLK1MKNK1RAF1BRAF
SCHEMBL5147410 0.84 ALDH1A1 (0.41) ALDH1A1HPGDCDK2CLK1RAF1
SCHEMBL2986650 0.83 CDK2 (0.37) CDK2CLK1MKNK1RAF1BRAF
SCHEMBL2972998 0.82 RAF1 (0.41) CDK2CLK1RAF1BRAFCDK9
SCHEMBL2989628 0.82 ALDH1A1 (0.44) ALDH1A1HPGDRAF1BRAFCDK9
SCHEMBL2975976 0.82 DKK1 (0.41) CDK2CLK1MKNK1EIF2AK2CDC7

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 ALDH1A1 1565/4885HPGD 2389/4885CDK2 23/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 ALDH1A1 1565/4885HPGD 2389/4885CDK2 23/4885

“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.