SCHEMBL12083904

SCHEMBL12083904

CCc1cn(NC(=O)c2cnc(-c3ncccn3)nc2C)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.61
▸ PDE4A P27815 5/20 0.37
▸ PDE4B Q07343 5/20 0.37
▸ PDE4C Q08493 5/20 0.37
▸ PDE4D Q08499 5/20 0.37
▸ BMX P51813 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
▸ TRPV1 Q8NER1 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ BRAF P15056 3/20 0.35
▸ LCK P06239 1/20 0.35
▸ BTK Q06187 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
SCHEMBL12083840 0.91 HPGDS (0.65) HPGDSBMXTRPV1BRAF
SCHEMBL12084151 0.87 HPGDS (0.51) HPGDSBMXBRAFLCKBTK
SCHEMBL12084154 0.87 HPGDS (0.46) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL12084156 0.87 HPGDS (0.56) HPGDS
SCHEMBL14313001 0.85 HPGDS (0.43) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL12084186 0.84 HPGDS (0.58) HPGDSGAA
SCHEMBL12084132 0.81 HPGDS (0.79) HPGDSTRPV1BRAF
SCHEMBL12083764 0.81 HPGDS (0.68) HPGDSXPO1JUNNFKB1NFKB2
SCHEMBL12083836 0.79 HPGDS (0.61) HPGDS
SCHEMBL12084153 0.79 HPGDS (0.62) 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 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 10/4885PDE4A 581/4885PDE4B 679/4885

“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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