SCHEMBL12084157

SCHEMBL12084157

Cc1nc(-c2ccccn2)ncc1C(=O)Nn1ccc2ccc(C(F)(F)F)cc21

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.70
▸ GLA P06280 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39
▸ F2 P00734 1/20 0.39
▸ F12 P00748 1/20 0.39
▸ PPP1CA P62136 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ XPO1 O14980 1/20 0.36
▸ JUN P05412 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL12083764 0.91 HPGDS (0.68) HPGDSTLR7BRAFTRPV1XPO1
SCHEMBL3210165 0.85 HPGDS (0.72) HPGDSGLAKMT2AMEN1METAP1
SCHEMBL14312581 0.85 HPGDS (0.51) HPGDSKMT2AMEN1TLR7TRPV1
SCHEMBL12084132 0.84 HPGDS (0.79) HPGDSGLAKMT2AMEN1TLR7
SCHEMBL12084081 0.83 HPGDS (0.54) HPGDSBRAFXPO1JUNNFKB1
SCHEMBL12083914 0.83 HPGDS (0.51) HPGDSKDM4EXPO1JUNNFKB1
SCHEMBL3213040 0.83 HPGDS (0.66) HPGDSGLAKMT2AMEN1F2
SCHEMBL12083843 0.82 HPGDS (0.74) HPGDSGLAKMT2AMEN1F2
SCHEMBL12083840 0.82 HPGDS (0.65) HPGDSGLAKMT2AMEN1TLR7
SCHEMBL3219730 0.80 HPGDS (0.70) HPGDSGLAKMT2AMEN1METAP1

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
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-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 10/4885GLA 1529/4885KMT2A 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.

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