Sugi Predict

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SCHEMBL3227794

SCHEMBL3227794

Cc1cn(NC(=O)c2cnc(-c3ncccn3)nc2)c2ccc(F)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.66
▸ SCN2B O60939 6/20 0.39
▸ SCN1B Q07699 6/20 0.39
▸ SCN9A Q15858 6/20 0.39
▸ SCN5A Q14524 5/20 0.39
▸ SCN1A P35498 3/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ GAA P10253 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL12083696 0.91 HPGDS (0.78) HPGDSSCN2BSCN1BSCN9ASCN5A
SCHEMBL12083571 0.88 HPGDS (0.58) HPGDSSCN2BSCN1BSCN9ASCN5A
SCHEMBL12083580 0.87 HPGDS (0.58) HPGDSSCN2BSCN1BSCN9ABCHE
SCHEMBL12083884 0.87 HPGDS (0.82) HPGDSSCN2BSCN1BSCN9ASCN5A
SCHEMBL12083828 0.85 HPGDS (0.55) HPGDSSCN2BSCN1BSCN9ASCN5A
SCHEMBL12084264 0.83 HPGDS (0.53) HPGDSSCN2BSCN1BSCN9ASCN5A
SCHEMBL12083871 0.83 HPGDS (0.53) HPGDSSCN2BSCN1BSCN9ASCN5A
SCHEMBL12085867 0.81 HPGDS (0.51) HPGDSSCN2BSCN1BSCN9ASCN5A
SCHEMBL14313242 0.81 HPGDS (0.60) HPGDSSCN2BSCN1BSCN9ASCN5A
SCHEMBL2474438 0.80 HPGDS (1.00) HPGDSGRM4RAB9A

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 9 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
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-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
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 10/4885SCN2B 4157/4885SCN1B 2932/4885

“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.