SCHEMBL12084153

SCHEMBL12084153

CCc1cn(NC(=O)c2cnc(-c3ccccn3)nc2C)c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.62
▸ ELANE P08246 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SCN8A Q9UQD0 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 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
SCHEMBL12084156 0.92 HPGDS (0.56) HPGDSELANETP53MAPTPPARG
SCHEMBL12083840 0.88 HPGDS (0.65) HPGDSMEN1KMT2AGLACYP1A2
SCHEMBL12083758 0.85 HPGDS (0.44) HPGDSELANETP53MAPTSCN10A
SCHEMBL12083853 0.85 HPGDS (0.49) HPGDSELANETP53MAPTABL1
SCHEMBL12083958 0.81 HPGDS (0.66) HPGDSMEN1KMT2AGLACYP1A2
SCHEMBL12084139 0.81 HPGDS (0.81) HPGDSMEN1KMT2AGLA
SCHEMBL12084130 0.81 HPGDS (0.61) HPGDSMEN1KMT2AGLATRPM8
SCHEMBL12083846 0.80 HPGDS (0.76) HPGDSMEN1KMT2AGLA
SCHEMBL12083904 0.79 HPGDS (0.61) HPGDS
SCHEMBL12083895 0.79 HPGDS (0.73) HPGDSMEN1KMT2AGLA

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 10/4885ELANE 2436/4885MEN1 4322/4885

“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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