SCHEMBL3473227

SCHEMBL3473227

CNc1cc(-c2ccccc2)nc(Cl)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
L3MBTL1 Q9Y468 3/20 0.66
ALDH1A1 P00352 2/20 0.66
HPGD P15428 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MAPT P10636 7/20 0.59
TDP1 Q9NUW8 2/20 0.59
KDM4E B2RXH2 2/20 0.59
BPTF Q12830 1/20 0.58
TP53 P04637 4/20 0.48
XDH P47989 1/20 0.45
AGPAT2 O15120 1/20 0.44
ADORA1 P30542 4/20 0.44
ADORA2A P29274 3/20 0.44
ADORA3 P0DMS8 2/20 0.44
HRH4 Q9H3N8 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
LMNA P02545 3/20 0.43

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
SCHEMBL416616 0.82 MEN1 (0.66) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL24227649 0.81 ADORA1 (0.63) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL3451792 0.81 MEN1 (0.59) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL3220814 0.81 MEN1 (0.59) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL21765569 0.81 MEN1 (0.63) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL782567 0.80 MEN1 (1.00) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL17407824 0.79 HRH4 (0.68) KMT2AALDH1A1HPGDMAPTTDP1
SCHEMBL3453164 0.79 BPTF (0.58) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL3228721 0.78 MEN1 (0.54) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL3233891 0.78 MEN1 (0.54) MEN1KMT2AL3MBTL1ALDH1A1HPGD

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-20100324076-A1 Novel sEH Inhibitors and their Use GLAXOSMITHKLINE LLC 2010-12-23 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
EP-2240021-A1 NOVEL SEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-10-20 EP disclosed
WO-2009097474-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 WO disclosed
EP-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP disclosed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 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-20100324076-A1 Novel sEH Inhibitors and their Use EPHX1, NCEH1, PCSK9 MEN1 715/4885KMT2A 511/4885L3MBTL1 1976/4885

“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.