SCHEMBL12083963

SCHEMBL12083963

Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1ccc2c(C#N)cccc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.55
▸ MAP4K4 O95819 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ XDH P47989 2/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ SCN9A Q15858 4/20 0.38
▸ CSNK1D P48730 1/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ CASP3 P42574 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
SCHEMBL3223201 0.88 HPGDS (0.59) HPGDSMAP4K4NR3C2CSNK1DDGAT1
SCHEMBL3210065 0.86 HPGDS (0.58) HPGDSMAP4K4XDHCSNK1DDGAT1
SCHEMBL12083746 0.86 HPGDS (0.59) HPGDSMAP4K4GRM5XDHCSNK1D
SCHEMBL14313193 0.85 HPGDS (0.40) HPGDSMAP4K4GRM5XDHNR3C1
SCHEMBL3220698 0.85 HPGDS (0.54) HPGDSMAP4K4CSNK1DDGAT1TP53
SCHEMBL3213889 0.85 HPGDS (0.56) HPGDSMAP4K4NR3C2CSNK1DDGAT1
SCHEMBL2471757 0.84 HPGDS (0.54) HPGDSMAP4K4CSNK1DDGAT1LMNA
SCHEMBL12084048 0.84 HPGDS (0.49) HPGDSMAP4K4GRM5XDHCSNK1D
SCHEMBL14313078 0.83 HPGDS (0.54) HPGDSMAP4K4XDHCSNK1DDGAT1
SCHEMBL27794871 0.83 HPGDS (0.54) HPGDSMAP4K4CSNK1DDGAT1CASP3

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 2134/4885GRM5 932/4885

“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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