SCHEMBL12083729

SCHEMBL12083729

COc1ccc2c(ccn2NC(=O)c2cnc(-c3ccccn3)nc2C)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.65
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CTSD P07339 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ADORA3 P0DMS8 3/20 0.39
▸ F2 P00734 1/20 0.39
▸ F12 P00748 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38

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
SCHEMBL12083913 0.91 HPGDS (0.59) HPGDSKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12083843 0.87 HPGDS (0.74) HPGDSKMT2AMEN1CTSDL3MBTL1
SCHEMBL3210165 0.86 HPGDS (0.72) HPGDSKMT2AMEN1CTSDLMNA
SCHEMBL14312952 0.85 HPGDS (0.50) HPGDSKMT2AMEN1CTSDALDH1A1
SCHEMBL12083724 0.82 HPGDS (0.50) HPGDSALDH1A1LMNAHDAC1HDAC6
SCHEMBL3213040 0.82 HPGDS (0.66) HPGDSKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL3219730 0.81 HPGDS (0.70) HPGDSKMT2AMEN1CTSDALDH1A1
SCHEMBL3221680 0.79 HPGDS (0.63) HPGDSKMT2AMEN1
SCHEMBL12083862 0.79 HPGDS (1.00) HPGDSKMT2AMEN1ALDH1A1LMNA
SCHEMBL12084157 0.79 HPGDS (0.70) HPGDSKMT2AMEN1SMN1; SMN2F2

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 10/4885KMT2A 3378/4885MEN1 4322/4885

“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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