SCHEMBL12083914

SCHEMBL12083914

Cc1nc(-c2nccs2)ncc1C(=O)Nn1ccc2ccc(C(F)(F)F)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.51
▸ XPO1 O14980 1/20 0.36
▸ JUN P05412 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ NR3C1 P04150 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SORT1 Q99523 4/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SRC P12931 1/20 0.33
▸ ZAP70 P43403 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL12083764 0.86 HPGDS (0.68) HPGDSXPO1JUNNFKB1NFKB2
SCHEMBL14312960 0.85 HPGDS (0.36) HPGDSMAPK8MAPK9MAPK10NPSR1
SCHEMBL3222736 0.83 HPGDS (0.47) HPGDSMAPK8MAPK9MAPK10MAPT
SCHEMBL12084157 0.83 HPGDS (0.70) HPGDSXPO1JUNNFKB1NFKB2
SCHEMBL12084154 0.82 HPGDS (0.46) HPGDSXPO1JUNNFKB1NFKB2
SCHEMBL3213056 0.81 HPGDS (0.47) HPGDSMAPK8MAPK9MAPK10SMN1; SMN2
SCHEMBL12084081 0.80 HPGDS (0.54) HPGDSXPO1JUNNFKB1NFKB2
SCHEMBL3219959 0.78 HPGDS (0.47) HPGDSMAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL12083767 0.77 HPGDS (0.46) HPGDSNR3C1GAA
SCHEMBL12084090 0.74 HPGDS (0.70) HPGDSHCRTR1HCRTR2KDM4E

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 10/4885XPO1 2283/4885JUN 2760/4885

“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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