SCHEMBL4820529

SCHEMBL4820529

CCN(CC)c1c(-c2ccc(SC)cc2)c(Cl)nc2ncnn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
ENPP1 P22413 7/20 0.36
KDM4E B2RXH2 3/20 0.36
CRHR1 P34998 1/20 0.33
ALDH1A1 P00352 4/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MBOAT4 Q96T53 1/20 0.31
THRB P10828 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
SCHEMBL4818545 0.90 LMNA (0.34) LMNACYP1A2MAPK1ENPP1KDM4E
SCHEMBL4818255 0.84 CRHR1 (0.46) LMNACYP1A2MAPK1ENPP1KDM4E
SCHEMBL7494211 0.78 LMNA (0.40) LMNACYP1A2MAPK1ENPP1KDM4E
SCHEMBL7960560 0.77 LMNA (0.47) LMNACYP1A2MAPK1ENPP1KDM4E
SCHEMBL4818577 0.76 CRHR1 (0.35) LMNAMAPK1ENPP1KDM4ECRHR1
SCHEMBL4819473 0.75 CRHR1 (0.41) LMNACYP1A2MAPK1ENPP1KDM4E
SCHEMBL4810627 0.74 CRHR1 (0.46) LMNACYP1A2MAPK1ENPP1KDM4E
SCHEMBL7833025 0.74 MAPK1 (0.44) LMNACYP1A2MAPK1ENPP1CRHR1
SCHEMBL4819180 0.73 KDM4E (0.34) LMNAMAPK1KDM4EALDH1A1TP53
SCHEMBL4810616 0.73 ENPP1 (0.43) LMNACYP1A2MAPK1ENPP1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US claimed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 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-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents TUBB3, TUBA1C, TUBB1 LMNA 2723/4885CYP1A2 3972/4885MAPK1 916/4885

“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.