SCHEMBL12084004

SCHEMBL12084004

Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1cc(CCc2cccnc2)c2cc(F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.55
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ PTAFR P25105 2/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ NAMPT P43490 2/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CSNK1D P48730 1/20 0.35
▸ SGMS2 Q8NHU3 1/20 0.35

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
SCHEMBL12083882 0.85 HPGDS (0.55) HPGDSGRIN2BWNT3ACSNK1D
SCHEMBL12083747 0.83 HPGDS (0.56) HPGDSGRIN2BWNT3ACSNK1D
SCHEMBL12083584 0.83 HPGDS (0.74) HPGDSIDO1WNT3ACSNK1D
SCHEMBL12083577 0.82 HPGDS (0.73) HPGDS
SCHEMBL12083974 0.81 HPGDS (0.51) HPGDSGRIN1GRIN2BWNT3ACSNK1D
SCHEMBL3217969 0.81 HPGDS (0.61) HPGDSGRIN2BWNT3ASMN1; SMN2CSNK1D
SCHEMBL12083808 0.80 HPGDS (0.63) HPGDSGRIN1GRIN2BCSNK1D
SCHEMBL3222021 0.80 HPGDS (0.60) HPGDSWNT3ACSNK1D
SCHEMBL12084151 0.79 HPGDS (0.51) HPGDSPTGDR2GRIN2BCSNK1D
SCHEMBL12083746 0.79 HPGDS (0.59) HPGDSCSNK1D

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 5 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 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
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 10/4885PTGDR2 92/4885PTAFR 310/4885

“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