SCHEMBL3219722

SCHEMBL3219722

NC(=O)C1=C[N]c2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
GRM2 Q14416 5/20 0.36
CDK2 P24941 2/20 0.34
CDC7 O00311 1/20 0.34
CCNE1 P24864 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
MAPK13 O15264 1/20 0.33
DAPK3 O43293 1/20 0.33
ROCK2 O75116 1/20 0.33
CHEK2 O96017 1/20 0.33
CDK1 P06493 1/20 0.33
CSF1R P07333 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 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
SCHEMBL3229587 0.81 KDM4E (0.33) KDRNPC1
SCHEMBL27620562 0.77 CA1 (0.35) CA1CA2CA7CA9KEAP1
SCHEMBL3227204 0.76 PARP2 (0.37) PARP1GRM2CA1CA2KDR
SCHEMBL3223527 0.74 MAP4K4 (0.39) CDK2AURKAROCK2CHEK2CDK1
SCHEMBL14313208 0.69 PIM1 (0.38) PARP1GRM2CA1CA2CA7
SCHEMBL15157002 0.68 NISCH (0.35) CA1CA2CA7CA9NPC1
SCHEMBL3261767 0.68 PARP1 (0.37) PARP1GRM2CDK2CA1CA2
SCHEMBL19210788 0.67 GRM2 (0.41) GRM2KDRNPC1
SCHEMBL3231611 0.67 SLC9A1 (0.38) PARP1GRM2KEAP1SLC9A1
SCHEMBL3220219 0.67 SLC9A1 (0.39) PARP1GRM2CDK2PLK4AURKA

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 10 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 claimed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US claimed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US claimed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO claimed
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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP 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 PARP1 295/4885GRM2 1211/4885CDK2 168/4885

“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.