SCHEMBL6690814

SCHEMBL6690814

Cc1cccc2c(-c3ccccc3)nc(N=C(N)N)nc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 7/20 0.68
KMT2A Q03164 6/20 0.68
MEN1 O00255 4/20 0.68
ALDH1A1 P00352 5/20 0.65
MAPT P10636 2/20 0.65
KDM4E B2RXH2 6/20 0.61
HPGD P15428 4/20 0.61
CYP1A2 P05177 1/20 0.61
POLB P06746 4/20 0.53
HTT P42858 1/20 0.53
MPO P05164 3/20 0.51
ADORA2B P29275 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
GAA P10253 1/20 0.43
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL6695775 0.83 KMT2A (0.65) RAD52KMT2AMEN1ALDH1A1MAPT
SCHEMBL6693510 0.79 RAD52 (1.00) RAD52KMT2AMEN1ALDH1A1MAPT
SCHEMBL6701733 0.76 RAD52 (0.81) RAD52KMT2AMEN1ALDH1A1MAPT
SCHEMBL6695896 0.76 RAD52 (0.74) RAD52KMT2AMEN1ALDH1A1MAPT
SCHEMBL6695249 0.75 KDM4E (0.71) RAD52KMT2AMEN1ALDH1A1MAPT
SCHEMBL18698081 0.74 PARP1 (0.49) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL6695258 0.74 RAD52 (0.72) RAD52KMT2AMEN1ALDH1A1MAPT
SCHEMBL6690807 0.73 GAA (0.41) RAD52KMT2AMEN1ALDH1A1MAPT
SCHEMBL6696026 0.73 KMT2A (0.67) RAD52KMT2AMEN1ALDH1A1MAPT
SCHEMBL27571655 0.71 RAD52 (0.76) RAD52KMT2AMEN1ALDH1A1MAPT

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 4 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 claimed
CN-1422260-A 2-guanidino-4-arylchinazolines as NHE-3 inhibitors MERCK PATENT GMBH (DE) 2003-06-04 CN claimed
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 RAD52 4856/4885KMT2A 3326/4885MEN1 2298/4885

“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.