SCHEMBL3213056

SCHEMBL3213056

Cc1nc(-c2nccs2)ncc1C(=O)Nn1ccc2cnccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.47
▸ FLT1 P17948 7/20 0.35
▸ KDR P35968 7/20 0.35
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ CYP17A1 P05093 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3222736 0.92 HPGDS (0.47) HPGDSMAPK8MAPK9MAPK10HSD17B10
SCHEMBL3226785 0.87 HPGDS (0.46) HPGDSFLT1KDRMAPK8MAPK9
SCHEMBL3220407 0.85 HPGDS (0.45) HPGDSFLT1KDRSLC22A12NPC1
SCHEMBL14313270 0.83 HPGDS (0.32) HPGDSFLT1KDRMAPK8MAPK9
SCHEMBL3219959 0.82 HPGDS (0.47) HPGDSHSD17B10SLC22A12DGAT1NPC1
SCHEMBL12083914 0.81 HPGDS (0.51) HPGDSMAPK8MAPK9MAPK10HSD17B10
SCHEMBL3226481 0.79 HPGDS (0.46) HPGDSMAPK8MAPK9MAPK10NPC1
SCHEMBL3230591 0.78 HPGDS (0.45) HPGDSSLC22A12NPC1RAB9A
SCHEMBL14313271 0.76 MAPT (0.33) HPGDSSLC22A12
SCHEMBL12084090 0.74 HPGDS (0.70) HPGDSKDRNPC1RAB9A

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 10 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 claimed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US claimed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US claimed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 — — EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 — — WO claimed
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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 — — EP 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 10/4885FLT1 777/4885KDR 2997/4885

“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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