SCHEMBL4904542

SCHEMBL4904542

COc1ccc(C(C)=O)cc1Cn1cnc(C[C@@H](CO)Nc2nccc(-c3ccc(C)s3)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.35
AKT3 Q9Y243 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
RXFP1 Q9HBX9 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL4908616 0.89 IKBKB (0.41) ALDH1A1HPGDMAPK1SMN1; SMN2RXFP1
SCHEMBL4907640 0.85 ALDH1A1 (0.39) ALDH1A1MAPK1L3MBTL1RXFP1MEN1
SCHEMBL4906573 0.78 AKT3 (0.37) MAPK1AKT3
SCHEMBL4904628 0.78 MAPK1 (0.35) MAPK1AKT3
SCHEMBL4904546 0.76 IKBKB (0.35) MAPK1AKT3
SCHEMBL4902936 0.76 DHODH (0.35) MAPK1AKT3
SCHEMBL4897686 0.73 IKBKB (0.34) MAPK1AKT3
SCHEMBL4905945 0.71 CPB1 (0.36) AKT3
SCHEMBL4896126 0.67 IKBKB (0.45) ALDH1A1AKT3SMN1; SMN2MEN1KMT2A
SCHEMBL4906911 0.66 IKBKB (0.42) MAPK1MEN1KMT2A

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 ALDH1A1 2693/4885HPGD 2076/4885MAPK1 1144/4885

“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.