SCHEMBL6693613

SCHEMBL6693613

NC(N)=Nc1nc(-c2ccccc2)c2c(Cl)cccc2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
ALDH1A1 P00352 2/20 0.67
MAPT P10636 1/20 0.67
POLB P06746 3/20 0.60
KDM4E B2RXH2 2/20 0.54
HTT P42858 1/20 0.54
MPO P05164 3/20 0.49
DHODH Q02127 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC9A3 P48764 3/20 0.42
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
PKM P14618 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
SCHEMBL6696586 0.81 ALDH1A1 (0.60) RAD52KMT2AMEN1ALDH1A1MAPT
SCHEMBL6693510 0.80 RAD52 (1.00) RAD52KMT2AMEN1ALDH1A1MAPT
SCHEMBL6695775 0.79 KMT2A (0.65) RAD52KMT2AMEN1ALDH1A1MAPT
SCHEMBL6693942 0.79 RAD52 (0.74) RAD52KMT2AMEN1ALDH1A1MAPT
SCHEMBL6699511 0.77 RAD52 (0.81) RAD52KMT2AMEN1ALDH1A1MAPT
SCHEMBL6695760 0.76 KMT2A (0.97) RAD52KMT2AMEN1ALDH1A1MAPT
SCHEMBL6694553 0.75 KMT2A (0.81) RAD52KMT2AMEN1ALDH1A1MAPT
SCHEMBL3870503 0.75 KDM4E (0.55) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL28329896 0.73 MEN1 (0.50) KMT2AMEN1KDM4EHTTDHODH
SCHEMBL6693608 0.72 DHODH (0.44) KMT2AMEN1ALDH1A1MAPTKDM4E

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 4856/4885KMT2A 3326/4885MEN1 2298/4885

“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.