SCHEMBL6695585

SCHEMBL6695585

NC(N)=Nc1nc(-c2ccccc2F)c2ccc(Cl)cc2n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.57
KMT2A Q03164 3/20 0.56
RAD52 P43351 3/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
APEX1 P27695 1/20 0.47
ADORA2A P29274 1/20 0.43
SLC9A3 P48764 3/20 0.42
ACHE P22303 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
SCHEMBL6700490 0.90 KMT2A (0.70) MPOKMT2ARAD52POLBMEN1
SCHEMBL6694553 0.82 KMT2A (0.81) MPOKMT2ARAD52POLBMEN1
SCHEMBL6700083 0.78 MPO (0.57) MPOKMT2ARAD52POLBMEN1
SCHEMBL6693265 0.78 KMT2A (0.73) MPOKMT2ARAD52POLBMEN1
SCHEMBL6695583 0.76 APEX1 (0.46) POLBMAPTAPEX1ADORA2AACHE
SCHEMBL6695998 0.76 KMT2A (0.70) MPOKMT2ARAD52POLBMEN1
SCHEMBL6698132 0.76 RAD52 (0.70) MPOKMT2ARAD52POLBMEN1
SCHEMBL27571649 0.74 POLB (0.67) MPOKMT2ARAD52POLBMEN1
SCHEMBL2124097 0.73 APEX1 (0.52) POLBAPEX1ACHE
SCHEMBL6695760 0.73 KMT2A (0.97) MPOKMT2ARAD52POLBMEN1

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 MPO 1003/4885KMT2A 3326/4885RAD52 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.