SCHEMBL6695249

SCHEMBL6695249

Cc1ccc2nc(N=C(N)N)nc(-c3ccccc3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.71
ALDH1A1 P00352 8/20 0.71
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
POLB P06746 2/20 0.71
HTT P42858 1/20 0.71
RAD52 P43351 5/20 0.70
MAPT P10636 4/20 0.69
LMNA P02545 3/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MPO P05164 4/20 0.55
GAA P10253 2/20 0.54
HPGD P15428 2/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
RAB9A P51151 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL6695258 0.90 RAD52 (0.72) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL6701733 0.84 RAD52 (0.81) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL6695896 0.84 RAD52 (0.74) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL6690826 0.83 KMT2A (0.71) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL6695614 0.83 KMT2A (1.00) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL6695760 0.83 KMT2A (0.97) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL6695085 0.83 KMT2A (0.79) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL6692491 0.83 KMT2A (0.67) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL6695186 0.83 KMT2A (0.77) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL6693510 0.82 RAD52 (1.00) KDM4EALDH1A1KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224965-A1 2-Guanidino-4-arylchinazolines as nhe-3 inhibitors MERCK PATENT GMBH (DE) 2004-11-11 US disclosed
CN-1422260-A 2-guanidino-4-arylchinazolines as NHE-3 inhibitors MERCK PATENT GMBH (DE) 2003-06-04 CN 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-20040224965-A1 2-Guanidino-4-arylchinazolines as nhe-3 inhibitors NHERF1, SLC9A3, SLC9A1 KDM4E 4437/4885ALDH1A1 875/4885KMT2A 3326/4885

“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.