SCHEMBL6690822

SCHEMBL6690822

N=C(N)Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
POLB P06746 2/20 0.59
KMT2A Q03164 2/20 0.59
ATM Q13315 1/20 0.59
RXFP1 Q9HBX9 3/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
MAPT P10636 8/20 0.57
THRB P10828 1/20 0.57
PRNP P04156 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 6/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
PTGFR P43088 1/20 0.46

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
SCHEMBL6693271 0.85 MAPT (0.52) L3MBTL1POLBKMT2AATMRXFP1
SCHEMBL6695608 0.84 ALDH1A1 (0.57) L3MBTL1POLBKMT2AMAPTTP53
SCHEMBL6695246 0.84 KDM4E (0.65) L3MBTL1POLBKMT2ACRHBPCRHR2
SCHEMBL6695754 0.84 MAPT (0.69) L3MBTL1POLBKMT2AMAPTTHRB
SCHEMBL6700078 0.84 KMT2A (0.53) L3MBTL1POLBKMT2AATMRXFP1
SCHEMBL6701110 0.84 MAPT (0.54) L3MBTL1POLBKMT2AATMRXFP1
SCHEMBL6693501 0.83 MAPT (0.64) KMT2AATMMAPTTHRBGAA
SCHEMBL6699515 0.83 MAPT (0.54) L3MBTL1POLBKMT2AATMRXFP1
SCHEMBL6693939 0.82 GAA (0.51) L3MBTL1POLBKMT2AMAPTTHRB
SCHEMBL6691744 0.81 DHODH (0.46) L3MBTL1POLBKMT2ARXFP1MAPT

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 3 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
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 L3MBTL1 3429/4885POLB 4015/4885KMT2A 3326/4885

“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.