SCHEMBL12083862

SCHEMBL12083862

COc1ccc2c(n1)c(C)cn2NC(=O)c1cnc(-c2ccccn2)nc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 1.00
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 7/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TRPM8 Q7Z2W7 5/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ PPP1CA P62136 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL12084250 0.87 HPGDS (1.00) HPGDSMEN1KMT2AKDM4EGAA
SCHEMBL12083977 0.87 HPGDS (0.79) HPGDSMEN1KMT2AKDM4ETRPM8
SCHEMBL14312780 0.86 HPGDS (0.76) HPGDSMEN1KMT2AL3MBTL1KDM4E
SCHEMBL12084175 0.81 HPGDS (0.69) HPGDSKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL12083981 0.79 HPGDS (0.75) HPGDSMEN1KMT2AKDM4EGAA
SCHEMBL12083813 0.79 HPGDS (0.72) HPGDSMEN1KMT2AKDM4EGAA
SCHEMBL12083729 0.79 HPGDS (0.65) HPGDSMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL2474438 0.79 HPGDS (1.00) HPGDSMEN1KMT2AL3MBTL1F2
SCHEMBL3210165 0.78 HPGDS (0.72) HPGDSMEN1KMT2AKDM4ETRPM8
SCHEMBL12083916 0.77 HPGDS (0.82) HPGDSGAA

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 10/4885MEN1 4322/4885KMT2A 3378/4885

“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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