SCHEMBL12083764

SCHEMBL12083764

Cc1nc(-c2ncccn2)ncc1C(=O)Nn1ccc2ccc(C(F)(F)F)cc21

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.68
▸ XPO1 O14980 1/20 0.39
▸ JUN P05412 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ SORT1 Q99523 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ PDE2A O00408 2/20 0.36
▸ BRAF P15056 2/20 0.36
▸ CDC7 O00311 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ TLR7 Q9NYK1 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
SCHEMBL12084157 0.91 HPGDS (0.70) HPGDSXPO1JUNNFKB1NFKB2
SCHEMBL12083914 0.86 HPGDS (0.51) HPGDSXPO1JUNNFKB1NFKB2
SCHEMBL12084081 0.86 HPGDS (0.54) HPGDSXPO1JUNNFKB1NFKB2
SCHEMBL14312885 0.84 HPGDS (0.49) HPGDSPDE2ACDC7CDK2
SCHEMBL12083904 0.81 HPGDS (0.61) HPGDSXPO1JUNNFKB1NFKB2
SCHEMBL12083913 0.77 HPGDS (0.59) HPGDS
SCHEMBL14312581 0.75 HPGDS (0.51) HPGDSGAATRPV1TLR7
SCHEMBL3210165 0.74 HPGDS (0.72) HPGDSGAA
SCHEMBL12084186 0.74 HPGDS (0.58) HPGDSGAA
SCHEMBL12084132 0.74 HPGDS (0.79) HPGDSTRPV1BRAFTLR7

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 10/4885XPO1 2283/4885JUN 2760/4885

“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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