SCHEMBL12084081

SCHEMBL12084081

Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1ccc2ccc(C(F)(F)F)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.54
▸ MAT2A P31153 2/20 0.40
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ CSNK1D P48730 1/20 0.36
▸ KCNT1 Q5JUK3 1/20 0.36
▸ RAF1 P04049 2/20 0.36
▸ BRAF P15056 2/20 0.36
▸ XPO1 O14980 1/20 0.36
▸ JUN P05412 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ PDE2A O00408 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
SCHEMBL2471757 0.87 HPGDS (0.54) HPGDSLMNAMAPTCSNK1DDGAT1
SCHEMBL12083764 0.86 HPGDS (0.68) HPGDSBRAFXPO1JUNNFKB1
SCHEMBL14312407 0.85 HPGDS (0.39) HPGDSMAT2ALMNATP53MAPT
SCHEMBL3217764 0.85 HPGDS (0.54) HPGDSLMNAMAPTCSNK1DDGAT1
SCHEMBL3220594 0.84 HPGDS (0.52) HPGDSMAPTCSNK1DDGAT1
SCHEMBL12084157 0.83 HPGDS (0.70) HPGDSBRAFXPO1JUNNFKB1
SCHEMBL12084151 0.82 HPGDS (0.51) HPGDSMAT2ADHODHLCKBTK
SCHEMBL12083909 0.82 HPGDS (0.51) HPGDSCSNK1DDGAT1
SCHEMBL3810374 0.82 HPGDS (0.51) HPGDSCSNK1DJUNNFKB1NFKB2
SCHEMBL3223201 0.81 HPGDS (0.59) HPGDSCSNK1DDGAT1

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 10/4885MAT2A 4344/4885LMNA 3470/4885

“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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