SCHEMBL3226934

SCHEMBL3226934

O=C(NNC(=O)c1ccccn1)c1cnc(-c2ccccc2)nc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.61
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 1/20 0.56
CDK5 Q00535 1/20 0.56
PAX8 Q06710 1/20 0.56
CDK5R1 Q15078 1/20 0.56
KDM4E B2RXH2 6/20 0.55
HTT P42858 5/20 0.55
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
OPRK1 P41145 1/20 0.55
ALDH1A1 P00352 1/20 0.54
HPGDS O60760 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.50
ALPL P05186 1/20 0.49
KDM5A P29375 1/20 0.49

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
SCHEMBL24931101 0.84 TLR7 (0.78) TLR7SMN1; SMN2NPC1PKMHPGD
SCHEMBL1147702 0.82 KDM4E (0.73) TLR7SMN1; SMN2NPC1PKMHPGD
SCHEMBL3227176 0.81 HPGDS (0.58) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL3222288 0.81 GAA (0.64) SMN1; SMN2NPC1PKMRAB9AKDM4E
SCHEMBL14810907 0.79 KDM4E (0.67) TLR7SMN1; SMN2NPC1PKMHPGD
SCHEMBL13381514 0.78 TLR7 (0.73) TLR7SMN1; SMN2NPC1PKMHPGD
SCHEMBL4636673 0.77 RAB9A (0.72) SMN1; SMN2NPC1PKMRAB9AKDM4E
SCHEMBL3223223 0.77 HPGDS (0.54) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL3228012 0.76 PTGS2 (0.62) SMN1; SMN2NPC1HPGDRAB9AKDM4E
SCHEMBL4636317 0.76 HPGDS (0.56) SMN1; SMN2NPC1RAB9AKDM4ELMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US claimed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US claimed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO claimed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US 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
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US 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 TLR7 1271/4885SMN1; SMN2 4832/4885NPC1 1657/4885

“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.