SCHEMBL12084154

SCHEMBL12084154

CCc1cn(NC(=O)c2cnc(-c3nccs3)nc2C)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.46
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ NR3C1 P04150 2/20 0.36
▸ PDE4A P27815 4/20 0.34
▸ PDE4B Q07343 4/20 0.34
▸ PDE4C Q08493 4/20 0.34
▸ PDE4D Q08499 4/20 0.34
▸ CCR2 P41597 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ AKR1A1 P14550 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ XPO1 O14980 1/20 0.33
▸ JUN P05412 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33

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
SCHEMBL12083758 0.88 HPGDS (0.44) HPGDS
SCHEMBL12083904 0.87 HPGDS (0.61) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL14313340 0.86 MAPK9 (0.35) HPGDSMAPK8MAPK9MAPK10NR3C1
SCHEMBL12083767 0.85 HPGDS (0.46) HPGDSNR3C1GAANPC1RAB9A
SCHEMBL12083840 0.84 HPGDS (0.65) HPGDSBMX
SCHEMBL12083914 0.82 HPGDS (0.51) HPGDSMAPK8MAPK9MAPK10NR3C1
SCHEMBL12084151 0.82 HPGDS (0.51) HPGDSBMX
SCHEMBL12083903 0.81 HPGDS (0.53) HPGDSNR3C1NPC1RAB9A
SCHEMBL12084171 0.80 HPGDS (0.44) HPGDSNR3C1
SCHEMBL12084090 0.79 HPGDS (0.70) HPGDSHCRTR1HCRTR2NPC1RAB9A

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 10/4885MAPK8 3973/4885MAPK9 2861/4885

“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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