SCHEMBL4821067

SCHEMBL4821067

CC(Nc1c(-c2c(F)c(F)c(F)c(F)c2F)c(Cl)nc2ncnn12)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.32
MBOAT4 Q96T53 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 2/20 0.31
POLB P06746 1/20 0.31
ENPP1 P22413 1/20 0.30
MAPK1 P28482 1/20 0.30
CRHR1 P34998 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 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
SCHEMBL7492723 0.89 ALDH1A1 (0.35) ALDH1A1GAALMNARAB9AL3MBTL1
SCHEMBL7497202 0.88 MAPK1 (0.34) ALDH1A1GAALMNARAB9AL3MBTL1
SCHEMBL3117730 0.87 MAPK1 (0.35) ALDH1A1GAALMNARAB9AL3MBTL1
SCHEMBL80486 0.87 MAPK1 (0.35) ALDH1A1GAALMNARAB9AL3MBTL1
SCHEMBL977522 0.87 MAPK1 (0.35) ALDH1A1GAALMNARAB9AL3MBTL1
SCHEMBL25616307 0.86 ALDH1A1 (0.35) ALDH1A1GAALMNARAB9AL3MBTL1
SCHEMBL23925473 0.85 ALDH1A1 (0.33) ALDH1A1GAALMNARAB9AL3MBTL1
SCHEMBL23925472 0.85 ALDH1A1 (0.33) ALDH1A1GAALMNARAB9AL3MBTL1
SCHEMBL4820865 0.85 KDM4E (0.40) ALDH1A1GAALMNARAB9AL3MBTL1
SCHEMBL4819838 0.85 ALDH1A1 (0.34) ALDH1A1GAALMNAKMT2AMEN1

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 4 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
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US 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 ALDH1A1 2231/4885GAA 1243/4885LMNA 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.