SCHEMBL4811963

SCHEMBL4811963

CCC(C)Nc1c(-c2ccccc2Br)c(Cl)nc2ncnn12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.36
CRHR1 P34998 2/20 0.35
ALDH1A1 P00352 4/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL4818487 0.85 ENPP1 (0.34) ENPP1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL5498348 0.79 KMT2A (0.41) CRHR1ALDH1A1HTTLMNAL3MBTL1
SCHEMBL7950455 0.79 CRHR1 (0.40) CRHR1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL4818577 0.79 CRHR1 (0.35) ENPP1CRHR1ALDH1A1HTTSMN1; SMN2
SCHEMBL5936228 0.78 CRHR1 (0.38) ENPP1CRHR1ALDH1A1HTTLMNA
SCHEMBL5247157 0.78 CRHR1 (0.53) CRHR1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL7496223 0.77 ALDH1A1 (0.38) ENPP1CRHR1ALDH1A1HTTSMN1; SMN2
SCHEMBL5593210 0.77 CRHR1 (0.36) CRHR1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL5331106 0.77 CRHR1 (0.32) ENPP1CRHR1ALDH1A1HTTSMN1; SMN2
SCHEMBL8118285 0.76 ALDH1A1 (0.38) ENPP1ALDH1A1SMN1; SMN2LMNAL3MBTL1

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 ENPP1 1402/4885CRHR1 4231/4885ALDH1A1 2231/4885

“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.