SCHEMBL6691747

SCHEMBL6691747

NC(N)=Nc1nc(-c2ccccc2)c2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
POLB P06746 3/20 0.70
MEN1 O00255 2/20 0.70
ALDH1A1 P00352 2/20 0.70
KDM4E B2RXH2 1/20 0.70
HTT P42858 1/20 0.70
RAD52 P43351 5/20 0.65
MAPT P10636 1/20 0.64
DHODH Q02127 1/20 0.48
MPO P05164 4/20 0.45
SLC9A3 P48764 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NPBWR1 P48145 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

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
SCHEMBL6692477 0.84 KMT2A (0.72) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL6695614 0.83 KMT2A (1.00) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL6690826 0.80 KMT2A (0.71) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL6695249 0.80 KDM4E (0.71) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL6695760 0.80 KMT2A (0.97) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL6693510 0.79 RAD52 (1.00) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL24108919 0.78 DHODH (0.54) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL6693942 0.77 RAD52 (0.74) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL6692491 0.77 KMT2A (0.67) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL6691744 0.75 DHODH (0.46) KMT2APOLBMEN1ALDH1A1KDM4E

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 4015/4885MEN1 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.