SCHEMBL4814513

SCHEMBL4814513

CC(Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 1/20 0.39
ALDH1A1 P00352 7/20 0.38
LMNA P02545 3/20 0.38
ATP1A1 P05023 1/20 0.38
ATP1B1 P05026 1/20 0.38
ATP1A3 P13637 1/20 0.38
ATP1B2 P14415 1/20 0.38
ATP1A2 P50993 1/20 0.38
ATP1B3 P54709 1/20 0.38
FXYD2 P54710 1/20 0.38
ATP1A4 Q13733 1/20 0.38
MAPK1 P28482 6/20 0.37
TSHR P16473 4/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
ALOX15 P16050 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36

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
SCHEMBL4820439 0.91 ALDH1A1 (0.38) ALDH1A1MAPK1TSHRALOX15POLB
SCHEMBL4820259 0.86 ALDH1A1 (0.35) ALDH1A1LMNAMAPK1TSHRMAPT
SCHEMBL975954 0.86 MAPK1 (0.38) ALDH1A1MAPK1TSHRALOX15POLB
SCHEMBL3608660 0.84 MAPK1 (0.37) ALDH1A1MAPK1TSHRALOX15POLB
SCHEMBL79687 0.84 MAPK1 (0.37) ALDH1A1MAPK1TSHRALOX15POLB
SCHEMBL29783525 0.84 MAPK1 (0.37) ALDH1A1MAPK1TSHRALOX15POLB
SCHEMBL14338819 0.83 MAPK1 (0.36) ALDH1A1MAPK1TSHRALOX15POLB
SCHEMBL7831913 0.82 CRHR1 (0.36) ALDH1A1LMNAMAPK1TSHRTP53
SCHEMBL22637997 0.82 MAPK1 (0.35) ALDH1A1MAPK1TSHRALOX15POLB
SCHEMBL976390 0.82 MAPK1 (0.35) ALDH1A1MAPK1TSHRALOX15POLB

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 KCNN3 2752/4885ALDH1A1 2231/4885LMNA 2723/4885

“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.