SCHEMBL6701115

SCHEMBL6701115

NC(N)=Nc1nc(-c2ccc(Br)cc2)c2cc(Cl)ccc2n1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.77
POLB P06746 2/20 0.77
RAD52 P43351 2/20 0.77
SLC9A3 P48764 9/20 0.65
MPO P05164 3/20 0.60
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 1/20 0.53

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
SCHEMBL6696132 0.92 KMT2A (0.85) KMT2APOLBRAD52SLC9A3MPO
SCHEMBL6695760 0.88 KMT2A (0.97) KMT2APOLBRAD52SLC9A3MPO
SCHEMBL6701162 0.87 KMT2A (0.77) KMT2APOLBRAD52SLC9A3MPO
SCHEMBL6695186 0.87 KMT2A (0.77) KMT2APOLBRAD52SLC9A3MPO
SCHEMBL6699523 0.86 KMT2A (0.76) KMT2APOLBRAD52SLC9A3MPO
SCHEMBL6695605 0.85 KMT2A (0.73) KMT2APOLBRAD52SLC9A3MPO
SCHEMBL27571697 0.85 POLB (0.73) KMT2APOLBRAD52SLC9A3MPO
SCHEMBL6692477 0.84 KMT2A (0.72) KMT2APOLBRAD52SLC9A3MPO
SCHEMBL6700380 0.84 KMT2A (0.72) KMT2APOLBRAD52SLC9A3MPO
SCHEMBL6690826 0.83 KMT2A (0.71) KMT2APOLBRAD52SLC9A3MPO

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 KMT2A 3326/4885POLB 4015/4885RAD52 4856/4885

“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.