SCHEMBL4900807

SCHEMBL4900807

CS(=O)(=O)c1nccc(-c2ccc3ccccc3c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DKK1 O94907 4/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ CYP1A2 P05177 3/20 0.41
▸ BPTF Q12830 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ S1PR4 O95977 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TLR9 Q9NR96 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PAX8 Q06710 1/20 0.41

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
SCHEMBL18703804 0.84 NPC1 (0.54) GSK3BCYP1A2BPTFHTTMEN1
SCHEMBL30122726 0.84 SDHB (0.47) BPTFHTTMEN1KMT2ASMN1; SMN2
SCHEMBL4447801 0.82 BPTF (0.54) CYP1A2BPTFHTTMEN1KMT2A
SCHEMBL17561035 0.78 DYRK1A (0.49) CYP1A2MAOBMEN1KMT2ARAB9A
SCHEMBL3580841 0.78 MAP4K4 (0.43) BPTFHTTMEN1KMT2ARAB9A
SCHEMBL2410945 0.76 RAB9A (0.56) HTTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4071288 0.76 KMO (0.51) CYP1A2HTTMEN1KMT2ASMN1; SMN2
SCHEMBL13934716 0.76 KDM4E (0.54) DKK1GSK3BCYP1A2HTTMEN1
SCHEMBL28146826 0.76 NPC1 (0.45) GSK3BCYP1A2BPTFHTTMEN1
SCHEMBL5906786 0.75 EGFR (0.53) MEN1KMT2ASMN1; SMN2RAB9ANPC1

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 1 patent. 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 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 DKK1 9/4885GSK3B 130/4885CYP1A2 2313/4885

“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.

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