SCHEMBL6695583

SCHEMBL6695583

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.46
ADORA1 P30542 2/20 0.42
ADORA2A P29274 2/20 0.41
ACHE P22303 1/20 0.39
MAPT P10636 5/20 0.38
GAA P10253 1/20 0.38
GRM2 Q14416 2/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL6700486 0.91 MAPT (0.49) ADORA1ADORA2AMAPTGAAGRM2
SCHEMBL6694550 0.83 ADORA1 (0.60) ADORA1MAPTGAASMN1; SMN2THRB
SCHEMBL6700078 0.79 KMT2A (0.53) ADORA2AMAPTGAATHRBPOLB
SCHEMBL6693258 0.79 GAA (0.55) ADORA1MAPTGAALMNASMN1; SMN2
SCHEMBL7031115 0.78 MAPT (0.50) ADORA1ADORA2AMAPTGAALMNA
SCHEMBL6698125 0.77 MAPT (0.49) ADORA1ADORA2AMAPTGAAGRM2
SCHEMBL6695993 0.77 MAPT (0.49) ADORA1MAPTGAAGRM2LMNA
SCHEMBL6695585 0.76 MPO (0.57) APEX1ADORA2AACHEMAPTPOLB
SCHEMBL24029263 0.75 MPO (0.55) ADORA1ACHEMAPTGAALMNA
SCHEMBL6695754 0.74 MAPT (0.69) ADORA1MAPTGAALMNASMN1; SMN2

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 6 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
EP-1274691-A1 2-GUANIDINO-4-ARYLCHINAZOLINES AS NHE-3 INHIBITORS MERCK PATENT GmbH (DE) 2003-01-15 EP claimed
WO-2001079186-A1 2-GUANIDINO-4-ARYLCHINAZOLINES AS NHE-3 INHIBITORS MERCK PATENT GMBH (DE) 2001-10-25 WO claimed
US-20040224965-A1 2-Guanidino-4-arylchinazolines as nhe-3 inhibitors MERCK PATENT GMBH (DE) 2004-11-11 US disclosed
EP-1274691-A1 2-GUANIDINO-4-ARYLCHINAZOLINES AS NHE-3 INHIBITORS MERCK PATENT GmbH (DE) 2003-01-15 EP disclosed
WO-2001079186-A1 2-GUANIDINO-4-ARYLCHINAZOLINES AS NHE-3 INHIBITORS MERCK PATENT GMBH (DE) 2001-10-25 WO 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 APEX1 3532/4885ADORA1 553/4885ADORA2A 1399/4885

“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.