SCHEMBL12084086

SCHEMBL12084086

COc1ccc2c(c1)c(C)cn2NC(=O)c1cnc(-c2cccc(F)c2)nc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.62
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTR6 P50406 3/20 0.39
▸ KCNA5 P22460 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ FOS P01100 1/20 0.37
▸ JUN P05412 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ SCN2B O60939 1/20 0.36
▸ SCN1A P35498 1/20 0.36
▸ SCN1B Q07699 1/20 0.36

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
SCHEMBL12083584 0.91 HPGDS (0.74) HPGDSLMNAMAPTABL1CSNK1D
SCHEMBL14313025 0.86 HPGDS (0.46) HPGDSLMNATP53MAPTHTR6
SCHEMBL12084096 0.86 HPGDS (0.62) HPGDSSCN2BSCN1ASCN1BSCN5A
SCHEMBL12083724 0.86 HPGDS (0.50) HPGDSLMNATP53MAPTFOS
SCHEMBL12083808 0.85 HPGDS (0.63) HPGDSCSNK1D
SCHEMBL12084175 0.84 HPGDS (0.69) HPGDSLMNATP53MAPTCSNK1D
SCHEMBL12084155 0.83 HPGDS (0.60) HPGDSCSNK1D
SCHEMBL12084187 0.82 HPGDS (0.48) HPGDSLMNATP53MAPTFOS
SCHEMBL12084176 0.82 HPGDS (0.70) HPGDSTP53MAPTCSNK1D
SCHEMBL3217969 0.82 HPGDS (0.61) HPGDSLMNAMAPTCSNK1DSCN9A

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 10/4885LMNA 3470/4885TP53 1426/4885

“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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