SCHEMBL4820773

SCHEMBL4820773

CC(C)C(C)N(C)c1c(-c2c(F)c(F)c(F)c(F)c2F)c(Cl)nc2ncnn12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 8/20 0.35
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
MBOAT4 Q96T53 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 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
SCHEMBL4814284 0.87 ENPP1 (0.35) ENPP1KMT2AALDH1A1POLBTSHR
SCHEMBL23944154 0.79 EGLN2 (0.45) KMT2AALDH1A1POLBTSHRMEN1
SCHEMBL4820523 0.77 ENPP1 (0.36) ENPP1KMT2AALDH1A1POLBTSHR
SCHEMBL4819189 0.76 ENPP1 (0.36) ENPP1MBOAT4
SCHEMBL7831889 0.74 ENPP1 (0.36) ENPP1KMT2AALDH1A1POLBTSHR
SCHEMBL7497202 0.73 MAPK1 (0.34) KMT2AALDH1A1POLBTSHRMEN1
SCHEMBL4820473 0.73 LMNA (0.41) ENPP1KMT2AALDH1A1POLBTSHR
SCHEMBL6997863 0.73 ENPP1 (0.34) ENPP1KMT2AALDH1A1POLBTSHR
SCHEMBL4821067 0.72 ALDH1A1 (0.32) ENPP1KMT2AALDH1A1POLBTSHR
SCHEMBL7490439 0.71 ENPP1 (0.39) ENPP1KMT2AALDH1A1POLBTSHR

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 8 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
EP-1307200-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS Wyeth (US) 2003-05-07 EP claimed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
WO-2002002563-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH (US) 2002-01-10 WO 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 1402/4885KMT2A 2012/4885ALDH1A1 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.