SCHEMBL3227740

SCHEMBL3227740

O=C(O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SRD5A2 P31213 1/20 0.53
ALDH1A1 P00352 2/20 0.52
IP6K1 Q92551 1/20 0.52
IP6K3 Q96PC2 1/20 0.52
IP6K2 Q9UHH9 1/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
XDH P47989 1/20 0.49
PIN1 Q13526 1/20 0.49
CNR2 P34972 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
CES2 O00748 1/20 0.49
CFTR P13569 1/20 0.48

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
SCHEMBL177461 0.80 RXRA (0.63) KMOMEN1KMT2ANPC1RAB9A
SCHEMBL30393660 0.80 RXRA (0.63) KMOMEN1KMT2ANPC1RAB9A
SCHEMBL27642540 0.80 SRD5A2 (0.55) SRD5A2XDHRXRARXRBRXRG
SCHEMBL14457437 0.79 MEN1 (0.55) KMOMEN1KMT2ANPC1RAB9A
SCHEMBL29784281 0.79 RXRA (0.72) KMOMEN1KMT2ANPC1RAB9A
SCHEMBL40311 0.79 TSHR (0.53) NPC1RAB9AALDH1A1SMN1; SMN2XDH
SCHEMBL2344585 0.79 RXRA (0.72) KMOMEN1KMT2ANPC1RAB9A
SCHEMBL1366015 0.79 HPGDS (0.55) KMOXDHPIN1NR4A2
SCHEMBL6259141 0.79 FYN (0.55) MEN1KMT2ANPC1
SCHEMBL1035109 0.78 PARP1 (0.54) KMOMEN1KMT2ANPC1RAB9A

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 KMO 1513/4885MEN1 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.