SCHEMBL4895958

SCHEMBL4895958

c1ccc2sc(-c3ccnc(NCCc4c[nH]cn4)n3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.47
CHUK O15111 7/20 0.47
IKBKG Q9Y6K9 7/20 0.47
CCNT1 O60563 3/20 0.40
CCNA2 P20248 3/20 0.40
CDK2 P24941 3/20 0.40
CDK9 P50750 3/20 0.40
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKCZ Q05513 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGDR Q13258 1/20 0.38
CYP19A1 P11511 1/20 0.37
CNR2 P34972 1/20 0.37
EIF2AK2 P19525 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAPK10 P53779 1/20 0.35

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
SCHEMBL4896094 0.84 IKBKB (0.50) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL4904668 0.79 DKK1 (0.43) CCNT1CCNA2CDK2CDK9MEN1
SCHEMBL13799539 0.76 IKBKB (0.56) IKBKBCHUKIKBKGCCNT1CCNA2
SCHEMBL2985979 0.75 IKBKB (0.46) IKBKBCHUKIKBKGCDK2MEN1
SCHEMBL2972101 0.74 IKBKB (0.50) IKBKBCHUKIKBKGMEN1RECQL
Hydrochloric Acid SCHEMBL3961613 0.73 IKBKB (0.51) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL4908664 0.73 IKBKB (0.39) IKBKBCHUKIKBKGCCNT1CCNA2
SCHEMBL4906521 0.73 ABL1 (0.50) CCNT1CCNA2CDK2CDK9PRKCZ
SCHEMBL3969427 0.73 IKBKB (0.53) IKBKBCHUKIKBKGMEN1RECQL
Hydrochloric Acid SCHEMBL3961561 0.72 IKBKB (0.52) IKBKBCHUKIKBKGMEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 US claimed
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 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-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT3A, CTNNB1, WNT1 IKBKB 1711/4885CHUK 975/4885IKBKG 4007/4885

“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.