SCHEMBL4820523

SCHEMBL4820523

CC(C)N(C)c1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 7/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
PDE2A O00408 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BRD4 O60885 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
SCHEMBL4814284 0.91 ENPP1 (0.35) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL7831889 0.89 ENPP1 (0.36) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL7821107 0.86 KMT2A (0.36) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL7833106 0.85 ENPP1 (0.36) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL14573289 0.85 ENPP1 (0.38) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL7821854 0.85 KMT2A (0.36) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL14573287 0.83 ENPP1 (0.39) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL4819577 0.83 ALDH1A1 (0.35) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL7833586 0.82 MAPK1 (0.37) ENPP1ALDH1A1KMT2APOLBTSHR
SCHEMBL7833025 0.82 MAPK1 (0.44) ENPP1ALDH1A1KMT2APOLBTSHR

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 1402/4885ALDH1A1 2231/4885KMT2A 2012/4885

“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.