SCHEMBL6692445

SCHEMBL6692445

Cc1ccc(-c2nc(N=C(N)N)nc3ccc(Cl)cc23)cc1C

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
RAD52 P43351 2/20 0.70
POLB P06746 2/20 0.70
MPO P05164 2/20 0.64
SLC9A3 P48764 8/20 0.57
NPFFR1 Q9GZQ6 1/20 0.54
NPFFR2 Q9Y5X5 1/20 0.54
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL6697414 0.92 POLB (0.68) KMT2ARAD52POLBMPOSLC9A3
SCHEMBL6700271 0.90 POLB (0.65) KMT2ARAD52POLBMPOSLC9A3
SCHEMBL6695186 0.88 KMT2A (0.77) KMT2ARAD52POLBMPOSLC9A3
SCHEMBL6696132 0.87 KMT2A (0.85) KMT2ARAD52POLBMPOSLC9A3
SCHEMBL6695760 0.83 KMT2A (0.97) KMT2ARAD52POLBMPOSLC9A3
SCHEMBL6695605 0.83 KMT2A (0.73) KMT2ARAD52POLBMPOSLC9A3
SCHEMBL6701115 0.82 KMT2A (0.77) KMT2ARAD52POLBMPOSLC9A3
SCHEMBL6701162 0.82 KMT2A (0.77) KMT2ARAD52POLBMPOSLC9A3
SCHEMBL6700380 0.82 KMT2A (0.72) KMT2ARAD52POLBMPOSLC9A3
SCHEMBL6698132 0.81 RAD52 (0.70) KMT2ARAD52POLBMPOSLC9A3

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 claimed
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 3326/4885RAD52 4856/4885POLB 4015/4885

“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.