SCHEMBL4821114

SCHEMBL4821114

CCC(C)Nc1c(-c2c(Cl)cc(F)cc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
CRHR1 P34998 2/20 0.38
HTT P42858 3/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE2A O00408 1/20 0.32
TP53 P04637 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
SCHEMBL7950455 0.92 CRHR1 (0.40) KMT2AGAAMEN1CRHR1HTT
SCHEMBL7831913 0.91 CRHR1 (0.36) KMT2AGAAMEN1CRHR1HTT
SCHEMBL5498348 0.85 KMT2A (0.41) KMT2AGAAMEN1CRHR1HTT
SCHEMBL5936228 0.84 CRHR1 (0.38) KMT2AGAACRHR1HTTALDH1A1
SCHEMBL7496223 0.83 ALDH1A1 (0.38) KMT2AGAAMEN1CRHR1HTT
SCHEMBL6185497 0.83 CRHR1 (0.44) KMT2ACRHR1HTTALDH1A1TSHR
SCHEMBL5593210 0.81 CRHR1 (0.36) KMT2AGAAMEN1CRHR1HTT
SCHEMBL8482833 0.80 MAPK1 (0.37) GAACRHR1HTTALDH1A1TSHR
SCHEMBL14596578 0.80 KMT2A (0.37) KMT2AGAAMEN1CRHR1ALDH1A1
SCHEMBL975954 0.79 MAPK1 (0.38) KMT2AGAAMEN1ALDH1A1TSHR

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
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
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 KMT2A 2012/4885GAA 1243/4885MEN1 2807/4885

“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.