SCHEMBL3210289

SCHEMBL3210289

Cc1nc(-c2nc(Cl)cs2)ncc1C(=O)Nn1ccc2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.45
▸ SLC22A12 Q96S37 5/20 0.36
▸ ENPP3 O14638 2/20 0.34
▸ ENPP1 P22413 2/20 0.34
▸ SLC22A6 Q4U2R8 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ MTNR1A P48039 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ CHRM1 P11229 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3220570 0.90 HPGDS (0.46) HPGDSSLC22A12ENPP3MTNR1APARP1
SCHEMBL3219959 0.85 HPGDS (0.47) HPGDSSLC22A12ENPP3ENPP1MTNR1A
SCHEMBL14313192 0.85 SLC22A12 (0.34) HPGDSSLC22A12ENPP3ENPP1SLC22A6
SCHEMBL3220407 0.83 HPGDS (0.45) HPGDSSLC22A12CHRM1KDR
SCHEMBL3230591 0.83 HPGDS (0.45) HPGDSSLC22A12CHRM1
SCHEMBL3221680 0.80 HPGDS (0.63) HPGDSSLC22A12ENPP3ENPP1MTNR1A
SCHEMBL3221574 0.78 HPGDS (0.53) HPGDSSLC22A12
SCHEMBL14313099 0.77 TGFBR1 (0.36) HPGDSSLC22A12ENPP3ENPP1MTNR1A
SCHEMBL3226785 0.73 HPGDS (0.46) HPGDSKDR
SCHEMBL3226481 0.73 HPGDS (0.46) HPGDS

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 10 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
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 HPGDS 10/4885SLC22A12 3667/4885ENPP3 1109/4885

“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.

Send feedback