SCHEMBL4819686

SCHEMBL4819686

CC(C)Sc1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 3/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE2A O00408 2/20 0.35
POLB P06746 2/20 0.34
ENPP1 P22413 1/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGES O14684 1/20 0.33
APP P05067 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL7957101 0.89 ALDH1A1 (0.36) ALDH1A1KMT2AGAAMEN1GFER
SCHEMBL4819270 0.89 ALDH1A1 (0.35) ALDH1A1KMT2AGAAMEN1GFER
SCHEMBL7956372 0.87 LMNA (0.40) ALDH1A1KMT2AGAAMEN1GFER
SCHEMBL7955197 0.86 ALDH1A1 (0.37) ALDH1A1KMT2AGAAMEN1GFER
SCHEMBL7958677 0.84 ALDH1A1 (0.37) ALDH1A1KMT2AGAAMEN1GFER
SCHEMBL7956946 0.84 ALDH1A1 (0.37) ALDH1A1KMT2AGAAMEN1GFER
SCHEMBL7958613 0.84 ALDH1A1 (0.39) ALDH1A1KMT2AGAAMEN1PDE2A
SCHEMBL7958699 0.82 ALDH1A1 (0.36) ALDH1A1KMT2AGAAMEN1GFER
SCHEMBL6998549 0.82 ALDH1A1 (0.39) ALDH1A1KMT2AGAAMEN1GFER
SCHEMBL7956834 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AGAAPDE2APOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
US-6277857-B1 EXCELLENT SELECTIVE FUNGICIDAL ACTIVITY AGAINST VARIOUS CROP PHYTOPATHOGENS AMERICAN CYANAMID COMPANY 2001-08-21 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
US-6277857-B1 EXCELLENT SELECTIVE FUNGICIDAL ACTIVITY AGAINST VARIOUS CROP PHYTOPATHOGENS AMERICAN CYANAMID COMPANY 2001-08-21 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 2231/4885KMT2A 2012/4885GAA 1243/4885

“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.