SCHEMBL6695258

SCHEMBL6695258

Cc1ccc2c(-c3ccccc3)nc(N=C(N)N)nc2c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 8/20 0.72
ALDH1A1 P00352 7/20 0.72
KMT2A Q03164 4/20 0.72
MEN1 O00255 3/20 0.72
MAPT P10636 2/20 0.72
KDM4E B2RXH2 6/20 0.62
POLB P06746 3/20 0.62
HTT P42858 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 2/20 0.58
MPO P05164 8/20 0.54
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 1/20 0.47
QRFPR Q96P65 1/20 0.47
GAA P10253 1/20 0.44

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
SCHEMBL6695249 0.90 KDM4E (0.71) RAD52ALDH1A1KMT2AMEN1MAPT
SCHEMBL6701733 0.86 RAD52 (0.81) RAD52ALDH1A1KMT2AMEN1MAPT
SCHEMBL6695896 0.85 RAD52 (0.74) RAD52ALDH1A1KMT2AMEN1MAPT
SCHEMBL6693510 0.84 RAD52 (1.00) RAD52ALDH1A1KMT2AMEN1MAPT
SCHEMBL6694553 0.84 KMT2A (0.81) RAD52ALDH1A1KMT2AMEN1MAPT
SCHEMBL6695887 0.83 ALDH1A1 (0.67) RAD52ALDH1A1KMT2AMEN1MAPT
SCHEMBL27688040 0.80 RAD52 (0.77) RAD52ALDH1A1KMT2AMEN1MAPT
SCHEMBL6693942 0.80 RAD52 (0.74) RAD52ALDH1A1KMT2AMEN1MAPT
SCHEMBL6692415 0.79 RAD52 (0.64) RAD52ALDH1A1KMT2AMEN1MAPT
SCHEMBL6695760 0.77 KMT2A (0.97) RAD52ALDH1A1KMT2AMEN1MAPT

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 RAD52 4856/4885ALDH1A1 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.