SCHEMBL12083724

SCHEMBL12083724

COc1ccc2c(ccn2NC(=O)c2cnc(-c3cccc(F)c3)nc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.50
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ POLQ O75417 1/20 0.39
▸ PPARG P37231 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ FOS P01100 1/20 0.38
▸ JUN P05412 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PPARD Q03181 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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 0.91 HPGDS (0.54) HPGDSLMNAMAPTPOLQCSNK1D
SCHEMBL3810374 0.87 HPGDS (0.51) HPGDSPOLQFOSJUNNFKB1
SCHEMBL12083909 0.87 HPGDS (0.51) HPGDSPOLQPPARGEPHX2CSNK1D
SCHEMBL2471757 0.87 HPGDS (0.54) HPGDSLMNAMAPTPOLQCSNK1D
SCHEMBL14041378 0.86 HPGDS (0.51) HPGDSLMNAMAPTPOLQCSNK1D
SCHEMBL14312983 0.86 HPGDS (0.40) HPGDSLMNATP53MAPTPPARG
SCHEMBL12084086 0.86 HPGDS (0.62) HPGDSLMNATP53MAPTFOS
SCHEMBL12083923 0.86 HPGDS (0.54) HPGDSCSNK1D
SCHEMBL12084187 0.86 HPGDS (0.48) HPGDSLMNATP53MAPTPOLQ
SCHEMBL12083913 0.85 HPGDS (0.59) HPGDSMAPTPPARGNPC1RAB9A

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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