SCHEMBL2977868

SCHEMBL2977868

Cc1ccsc1-c1ccnc(NCCN2CCNC2=O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.47
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
RAF1 P04049 4/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
CDK2 P24941 2/20 0.38
CLK1 P49759 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
SCN9A Q15858 2/20 0.37
IRAK1 P51617 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
EIF2AK2 P19525 1/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2987899 0.84 CDK2 (0.50) BRAFCDK2CDK7CDK9
SCHEMBL2983932 0.84 BRAF (0.49) BRAFRAF1CDK2SYK
SCHEMBL2988388 0.82 BRAF (0.49) BRAFADORA2AADORA1MKNK1RAF1
SCHEMBL2983287 0.81 BRAF (0.48) BRAFALDH1A1HPGDADORA2AADORA1
SCHEMBL2972099 0.80 BRAF (0.47) BRAFADORA2AADORA1MKNK1RAF1
SCHEMBL2971485 0.79 ROCK1 (0.47) BRAFADORA2AADORA1MKNK1RAF1
SCHEMBL5147410 0.79 ALDH1A1 (0.41) BRAFALDH1A1HPGDRAF1RAB9A
SCHEMBL2981312 0.79 BRAF (0.49) BRAFADORA2AADORA1MKNK1RAF1
SCHEMBL2986143 0.79 ADORA2A (0.47) BRAFALDH1A1ADORA2AADORA1RAF1
SCHEMBL2974386 0.78 ALDH1A1 (0.41) BRAFALDH1A1HPGDMKNK1RAF1

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 841/4885ALDH1A1 1565/4885HPGD 2389/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885ALDH1A1 1565/4885HPGD 2389/4885

“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.