SCHEMBL4818545

SCHEMBL4818545

C=C(C)CN(CC)c1c(-c2ccc(SC)cc2)c(Cl)nc2ncnn12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
ENPP1 P22413 3/20 0.32
KDM4E B2RXH2 1/20 0.31
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
GSK3B P49841 1/20 0.31
CRHR1 P34998 1/20 0.30

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
SCHEMBL4820529 0.90 LMNA (0.40) LMNACYP1A2MAPK1ENPP1KDM4E
SCHEMBL4819473 0.86 CRHR1 (0.41) LMNACYP1A2MAPK1ENPP1KDM4E
SCHEMBL4818158 0.84 ALDH1A1 (0.40) LMNACYP1A2MAPK1ENPP1KDM4E
SCHEMBL4810616 0.84 ENPP1 (0.43) LMNACYP1A2MAPK1ENPP1CDK1
SCHEMBL4817223 0.81 ALDH1A1 (0.35) LMNACYP1A2MAPK1ENPP1KDM4E
SCHEMBL7950853 0.81 MAPK1 (0.40) LMNACYP1A2MAPK1ENPP1KDM4E
SCHEMBL7492832 0.81 LMNA (0.38) LMNACYP1A2MAPK1ENPP1CDK1
SCHEMBL4819883 0.79 KDM4E (0.41) LMNACYP1A2MAPK1ENPP1KDM4E
SCHEMBL4819244 0.78 MAPK1 (0.38) LMNACYP1A2MAPK1ENPP1CDK1
SCHEMBL4820870 0.78 ENPP1 (0.38) LMNACYP1A2MAPK1ENPP1

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 6 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
EP-1307200-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS Wyeth (US) 2003-05-07 EP disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US disclosed
WO-2002002563-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH (US) 2002-01-10 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 (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.