SCHEMBL3219936

SCHEMBL3219936

O=C(O)c1cnc(-c2ncccn2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
P4HTM Q9NXG6 3/20 0.48
P4HA1 P13674 3/20 0.48
HCAR2 Q8TDS4 3/20 0.48
APP P05067 1/20 0.46
GAA P10253 1/20 0.46
HCAR3 P49019 1/20 0.46
MIF P14174 1/20 0.46
LDHA P00338 1/20 0.45
NAPRT Q6XQN6 4/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45

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
SCHEMBL4886683 0.89 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10ALOX15P4HTM
SCHEMBL16749632 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10ALOX15P4HTM
SCHEMBL1671397 0.79 KDM4E (0.61) ALDH1A1KDM4EP4HTMP4HA1HCAR2
SCHEMBL3407187 0.78 NNMT (0.48) KDM4EHSD17B10CYP2C19L3MBTL1TSHR
Hydrochloric Acid SCHEMBL3216270 0.78 HPGDS (0.59) ALDH1A1KDM4EP4HTMP4HA1HCAR2
SCHEMBL1244776 0.76 LDHA (0.62) P4HTMP4HA1HCAR3MIFLDHA
SCHEMBL29049636 0.75 XDH (0.56) ALDH1A1KDM4EHSD17B10ALOX15P4HTM
SCHEMBL12348485 0.75 P4HTM (0.63) ALDH1A1KDM4EHSD17B10P4HTMP4HA1
Hydrochloric Acid SCHEMBL3222131 0.75 LDHA (0.60) P4HTMP4HA1HCAR3MIFLDHA
SCHEMBL3705899 0.74 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10ALOX15P4HTM

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
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP claimed
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
CN-109206550-B Hybrid supermolecule dynamic polymer 厦门天策材料科技有限公司 2022-09-09 CN disclosed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP 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
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 ALDH1A1 298/4885KDM4E 2494/4885HSD17B10 2957/4885

“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.