SCHEMBL17583240

SCHEMBL17583240

O=C(O)c1c2c(cc3c1=c1ccccc1=N3)=c1ccccc1=N2

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL9435018 0.67
SCHEMBL9959990 0.64
SCHEMBL2914843 0.63 TGM2 (0.30)
SCHEMBL191345 0.61 ALDH1A1 (0.30) MEN1ALDH1A1KMT2A
SCHEMBL7615935 0.60 CA12 (0.44) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL17766689 0.59
SCHEMBL528426 0.59 PADI4 (0.31) MEN1ALDH1A1KMT2A
SCHEMBL30845814 0.57
SCHEMBL22130437 0.55
SCHEMBL16150631 0.55 MAPT (0.40) KDM4EMEN1ALDH1A1HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160074400-A1 WNT MODULATORS FOR THE PROTECTION, MITIGATION AND TREATMENT OF RADIATION INJURY ALBERT EINSTEIN COLLEGE OF MEDICINE 2016-03-17 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-20160074400-A1 WNT MODULATORS FOR THE PROTECTION, MITIGATION AND TREATMENT OF RADIATION INJURY WNT3A, IWS1, WNT1 KDM4E 1917/4885MEN1 4555/4885ALDH1A1 3033/4885

“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.