SCHEMBL4817033

SCHEMBL4817033

Fc1cccc(Cl)c1-c1c(Br)nc2ncnn2c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.37
AURKA O14965 2/20 0.37
PTGES O14684 2/20 0.36
ENPP1 P22413 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL4810439 0.88 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2POLBHPGD
SCHEMBL5731717 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBMAPK1MAPT
SCHEMBL4817444 0.86 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2POLBHPGD
SCHEMBL4822620 0.83 KDM4E (0.38) ALDH1A1KDM4ESMN1; SMN2POLBHPGD
SCHEMBL6999009 0.83 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2POLBHPGD
SCHEMBL7165653 0.83 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2POLBHPGD
SCHEMBL4819270 0.80 ALDH1A1 (0.35) ALDH1A1KDM4EPOLBHPGDMAPK1
SCHEMBL4817029 0.77 PDE2A (0.42) PDE2A
SCHEMBL4821137 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBHPGDMAPK1
SCHEMBL5441665 0.76 ALDH1A1 (0.47) ALDH1A1POLBMAPK1ENPP1TSHR

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 3 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-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 2231/4885KDM4E 3074/4885SMN1; SMN2 655/4885

“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.