SCHEMBL12083668

SCHEMBL12083668

Cc1cc2cc(F)ccc2n1NC(=O)c1cnc(-c2ccccn2)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 7/20 0.52
▸ CTSD P07339 2/20 0.40
▸ GUSB P08236 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KAT6A Q92794 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ F2 P00734 2/20 0.38
▸ F12 P00748 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GRM1 Q13255 1/20 0.38
▸ F10 P00742 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ P4HTM Q9NXG6 1/20 0.37
▸ HRH3 Q9Y5N1 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
SCHEMBL12083712 0.88 HPGDS (0.68) HPGDSCTSDGUSBRAB9AKAT6A
SCHEMBL14313102 0.87 HPGDS (0.48) HPGDSCTSDGUSBRAB9AKAT6A
SCHEMBL12083701 0.83 HPGDS (0.42) HPGDSKAT6ACYP2C9CYP2C19
SCHEMBL12083690 0.82 LMNA (0.43) HPGDSNPSR1F2CYP3A4CYP2C19
SCHEMBL14313023 0.82 HPGDS (0.51) HPGDSRAB9AGLAL3MBTL1HRH3
SCHEMBL12083928 0.81 HPGDS (0.54) HPGDSCTSDGUSBKAT6AGLA
SCHEMBL12083696 0.78 HPGDS (0.78) HPGDSCTSDGUSBRAB9AGLA
SCHEMBL3716064 0.77 HPGDS (0.42) HPGDSRAB9AKAT6ACYP3A4CYP2C9
SCHEMBL12083549 0.73 HPGDS (0.52) HPGDSCYP2C9CYP2C19
SCHEMBL12083687 0.73 HPGDS (0.49) HPGDSF2CYP3A4CYP2C19

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 10/4885CTSD 301/4885GUSB 2951/4885

“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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