SCHEMBL3226025

SCHEMBL3226025

N#Cc1cnc(C(=O)c2ccccc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 6/20 0.47
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PGR P06401 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SRD5A2 P31213 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3226688 0.77 SRD5A2 (0.56) VNN1ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL8514583 0.77 KDM4E (0.45) ALDH1A1KMT2AL3MBTL1LMNAMEN1
Benzophenone SCHEMBL9307169 0.77 ALDH1A1 (0.64) VNN1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL2314020 0.76 ALOX15 (0.53) VNN1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL11064770 0.75 ALDH1A1 (0.54) VNN1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL3215328 0.75 ALDH1A1 (0.61) ALDH1A1KMT2AL3MBTL1MAPTLMNA
SCHEMBL2890937 0.74 KMT2A (0.63) ALDH1A1KMT2AL3MBTL1MAPTLMNA
Benzophenone SCHEMBL8986537 0.73 KMT2A (0.68) VNN1ALDH1A1KMT2AL3MBTL1MAPT
Isonicotinonitrile SCHEMBL9710828 0.71 KMT2A (0.71) VNN1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL27794906 0.71 AKR1B1 (0.50) VNN1ALDH1A1KMT2AMAPTLMNA

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
CN-101646656-B Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI AVENTIS SPA 2013-08-14 CN disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
CN-101646656-A Pyrimidine hydrazide compounds as the PGDS inhibitor SANOFI AVENTIS FR 2010-02-10 CN disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 VNN1 2366/4885ALDH1A1 298/4885KMT2A 3378/4885

“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.