SCHEMBL12084048

SCHEMBL12084048

Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1ccc2cc(C#N)ccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.49
▸ MAP4K4 O95819 1/20 0.38
▸ IRAK4 Q9NWZ3 3/20 0.38
▸ ACLY P53396 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ XDH P47989 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ ALOX5AP P20292 3/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ SLC6A9 P48067 1/20 0.34
▸ KCNH2 Q12809 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
SCHEMBL3217764 0.90 HPGDS (0.54) HPGDSMAP4K4CSNK1DDGAT1
SCHEMBL3810374 0.86 HPGDS (0.51) HPGDSMAP4K4CSNK1DDGAT1
SCHEMBL12083909 0.86 HPGDS (0.51) HPGDSMAP4K4CSNK1DALOX5APDGAT1
SCHEMBL2471757 0.86 HPGDS (0.54) HPGDSMAP4K4CSNK1DDGAT1
SCHEMBL14041378 0.86 HPGDS (0.51) HPGDSMAP4K4CSNK1DDGAT1
SCHEMBL14312738 0.85 HPGDS (0.39) HPGDSIRAK4ACLYGRM5XDH
SCHEMBL12083923 0.85 HPGDS (0.54) HPGDSCSNK1DDGAT1SLC6A9
SCHEMBL12083724 0.85 HPGDS (0.50) HPGDSCSNK1D
SCHEMBL12083963 0.84 HPGDS (0.55) HPGDSMAP4K4GRM5XDHCSNK1D
SCHEMBL12084161 0.83 HPGDS (0.49) HPGDSIRAK4CSNK1D

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 10/4885MAP4K4 2134/4885IRAK4 722/4885

“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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