SCHEMBL6695775

SCHEMBL6695775

NC(N)=Nc1nc(-c2ccccc2)c2cccc(Cl)c2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
RAD52 P43351 5/20 0.65
ALDH1A1 P00352 4/20 0.65
MEN1 O00255 3/20 0.65
MAPT P10636 2/20 0.65
POLB P06746 3/20 0.59
KDM4E B2RXH2 3/20 0.53
HTT P42858 1/20 0.53
DHODH Q02127 1/20 0.46
MPO P05164 1/20 0.44
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
PLAU P00749 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC9A3 P48764 1/20 0.41
ADORA2B P29275 1/20 0.40
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39

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
SCHEMBL6696026 0.84 KMT2A (0.67) KMT2ARAD52ALDH1A1MEN1MAPT
SCHEMBL6690814 0.83 RAD52 (0.68) KMT2ARAD52ALDH1A1MEN1MAPT
SCHEMBL6693510 0.79 RAD52 (1.00) KMT2ARAD52ALDH1A1MEN1MAPT
SCHEMBL6693613 0.79 RAD52 (0.67) KMT2ARAD52ALDH1A1MEN1MAPT
SCHEMBL6693942 0.78 RAD52 (0.74) KMT2ARAD52ALDH1A1MEN1MAPT
SCHEMBL6699511 0.76 RAD52 (0.81) KMT2ARAD52ALDH1A1MEN1MAPT
SCHEMBL3488590 0.76 ALDH1A1 (0.53) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL6695760 0.75 KMT2A (0.97) KMT2ARAD52ALDH1A1MEN1MAPT
SCHEMBL6694553 0.74 KMT2A (0.81) KMT2ARAD52ALDH1A1MEN1MAPT
SCHEMBL28202634 0.74 DHODH (0.56) KMT2AALDH1A1MEN1MAPTKDM4E

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 KMT2A 3326/4885RAD52 4856/4885ALDH1A1 875/4885

“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.