SCHEMBL2840729

SCHEMBL2840729

c1ccc(Nc2ccncc2)nc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPK10 P53779 1/20 0.59
GFER P55789 1/20 0.59
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
ALDH1A1 P00352 1/20 0.46
GAA P10253 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
SCHEMBL626575 0.86 MEN1 (0.64) MEN1KMT2AMAPK10GFERSMN1; SMN2
SCHEMBL29582475 0.86 MEN1 (0.64) MEN1KMT2AMAPK10GFERSMN1; SMN2
SCHEMBL31138002 0.84 MEN1 (0.61) MEN1KMT2AMAPK10GFERSMN1; SMN2
SCHEMBL31390266 0.83 MEN1 (0.59) MEN1KMT2AMAPK10GFERSMN1; SMN2
SCHEMBL221242 0.81 KMT2A (0.76) MEN1KMT2AMAPK10GFERLMNA
SCHEMBL29391624 0.81 KMT2A (0.76) MEN1KMT2AMAPK10GFERLMNA
SCHEMBL25956607 0.81 CTSD (0.58) MEN1KMT2AMAPK10GFERLMNA
SCHEMBL904444 0.79 NPC1 (0.60) MEN1KMT2AMAPK10GFERSMN1; SMN2
SCHEMBL904463 0.79 MEN1 (0.55) MEN1KMT2AMAPK10GFERSMN1; SMN2
SCHEMBL21258999 0.79 NPC1 (0.60) MEN1KMT2AMAPK10GFERLMNA

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-7709637-B2 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi BASF SE (DE) 2010-05-04 US disclosed
US-20070088026-A1 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi METAVANTE CORPORATION 2007-04-19 US disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
US-7153860-B2 5-Phenylpyrimidines, methods and intermediate products for the production thereof and use of the same for controlling pathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2006-12-26 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed
US-20040116429-A1 5-Phenylpyrimidines, methods and intermediate products for the production thereof and use of the same for controlling pathogenic fungi BASF SE (DE) 2004-06-17 US 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-20070088026-A1 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi DPYD, CBR3, RNGTT MEN1 4508/4885KMT2A 3289/4885MAPK10 4028/4885

“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.