SCHEMBL6692491

SCHEMBL6692491

COc1ccc2nc(N=C(N)N)nc(-c3ccccc3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
ALDH1A1 P00352 5/20 0.67
KDM4E B2RXH2 5/20 0.67
MEN1 O00255 4/20 0.67
POLB P06746 3/20 0.67
HTT P42858 2/20 0.67
RAD52 P43351 6/20 0.65
MAPT P10636 3/20 0.64
MPO P05164 2/20 0.57
SLC9A3 P48764 3/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.47
ALOX12 P18054 1/20 0.47
RAB9A P51151 1/20 0.47
HIF1A Q16665 1/20 0.47
PLAU P00749 1/20 0.46

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
SCHEMBL6695887 0.91 ALDH1A1 (0.67) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL6695603 0.86 RAD52 (0.74) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL6692415 0.85 RAD52 (0.64) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL6695249 0.83 KDM4E (0.71) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL6695760 0.80 KMT2A (0.97) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL6695614 0.80 KMT2A (1.00) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL6690826 0.80 KMT2A (0.71) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL6693510 0.79 RAD52 (1.00) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL24108922 0.78 KDM4E (0.55) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL6693942 0.77 RAD52 (0.74) KMT2AALDH1A1KDM4EMEN1POLB

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-20040224965-A1 2-Guanidino-4-arylchinazolines as nhe-3 inhibitors MERCK PATENT GMBH (DE) 2004-11-11 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-20040224965-A1 2-Guanidino-4-arylchinazolines as nhe-3 inhibitors NHERF1, SLC9A3, SLC9A1 KMT2A 3326/4885ALDH1A1 875/4885KDM4E 4437/4885

“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.