SCHEMBL4819474

SCHEMBL4819474

CC(Nc1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
IDH1 O75874 4/20 0.34
IDH2 P48735 3/20 0.34
PDE2A O00408 1/20 0.33
CRHR1 P34998 1/20 0.33
KMT2A Q03164 2/20 0.33
MBOAT4 Q96T53 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
ENPP1 P22413 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 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
SCHEMBL4819631 0.95 IDH1 (0.36) ALDH1A1IDH1IDH2KMT2AMBOAT4
SCHEMBL4819838 0.92 ALDH1A1 (0.34) ALDH1A1LMNAPDE2ACRHR1KMT2A
SCHEMBL8390372 0.91 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1GAAENPP1
SCHEMBL7262159 0.89 LMNA (0.39) ALDH1A1LMNAPDE2ACRHR1KMT2A
SCHEMBL4483453 0.87 ALDH1A1 (0.37) ALDH1A1LMNACRHR1KMT2AMBOAT4
SCHEMBL5936228 0.85 CRHR1 (0.38) ALDH1A1LMNAPDE2ACRHR1KMT2A
SCHEMBL14596578 0.85 KMT2A (0.37) ALDH1A1CRHR1KMT2AMBOAT4MEN1
SCHEMBL4820872 0.85 ALDH1A1 (0.38) ALDH1A1LMNAIDH1IDH2PDE2A
SCHEMBL6995709 0.85 LMNA (0.35) ALDH1A1LMNAKMT2AMBOAT4MEN1
SCHEMBL976390 0.84 MAPK1 (0.35) ALDH1A1KMT2AMBOAT4MEN1GAA

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 ALDH1A1 2231/4885LMNA 2723/4885IDH1 733/4885

“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.