SCHEMBL3226137

SCHEMBL3226137

COc1ccc(NC(=O)C(F)(F)F)c(Br)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPT P10636 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PDK1 Q15118 2/20 0.37
▸ PDK2 Q15119 2/20 0.37
▸ PDK3 Q15120 2/20 0.37
▸ PDK4 Q16654 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ABCC9 O60706 1/20 0.36
▸ ABCC8 Q09428 1/20 0.36
▸ KCNJ11 Q14654 1/20 0.36
▸ KCNJ8 Q15842 1/20 0.36
▸ NNMT P40261 1/20 0.36
▸ MTNR1A P48039 1/20 0.35

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
SCHEMBL15493201 0.87 KDM4E (0.41) MAPTMAPK1SMN1; SMN2NPSR1PDK1
SCHEMBL30254529 0.83 CA2 (0.39) MAPTSMN1; SMN2PDK1PDK2PDK3
SCHEMBL23885406 0.83 CA2 (0.39) MAPTSMN1; SMN2PDK1PDK2PDK3
SCHEMBL26931005 0.81 POLB (0.44) CYP1A2MAPTMAPK1SMN1; SMN2TSHR
SCHEMBL30254317 0.80 SMN1; SMN2 (0.43) CYP1A2CYP2C9CYP2C19MAPTSMN1; SMN2
SCHEMBL23885689 0.80 SMN1; SMN2 (0.43) CYP1A2CYP2C9CYP2C19MAPTSMN1; SMN2
SCHEMBL3220102 0.78 CA2 (0.38) MAPTSMN1; SMN2PDK1PDK2PDK3
SCHEMBL31438981 0.78 ATR (0.39) MAPTMAPK1SMN1; SMN2POLBTDP1
SCHEMBL26944256 0.78 ATR (0.39) MAPTMAPK1SMN1; SMN2POLBTDP1
SCHEMBL31263190 0.77 SMN1; SMN2 (0.37) MAPTSMN1; SMN2PDK1PDK2PDK3

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 5 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-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 CYP1A2 331/4885CYP2C9 352/4885CYP2C19 146/4885

“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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