SCHEMBL1308660

SCHEMBL1308660

O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 3/20 0.64
SERPINE1 P05121 4/20 0.58
KCNK2 O95069 2/20 0.57
KCNK10 P57789 2/20 0.57
PPARG P37231 3/20 0.56
PPARD Q03181 2/20 0.56
NR1H4 Q96RI1 2/20 0.56
MPO P05164 1/20 0.56
NTRK1 P04629 2/20 0.56
TRPV1 Q8NER1 1/20 0.54
GRIK1 P39086 2/20 0.53
PPARA Q07869 2/20 0.52
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NTRK2 Q16620 1/20 0.51
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
P2RX1 P51575 1/20 0.50

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
SCHEMBL1308018 0.86 NTRK1 (0.54) TMPRSS4KCNK2MPONTRK1TRPV1
SCHEMBL1307435 0.85 KCNK2 (0.57) TMPRSS4KCNK2KCNK10MPONTRK1
SCHEMBL1308248 0.84 TAS1R3 (0.65) SERPINE1KCNK2KCNK10PPARGGRIK1
SCHEMBL18341193 0.81 TMPRSS4 (0.85) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL418647 0.81 SERPINE1 (0.66) SERPINE1KCNK2KCNK10PPARGPPARD
SCHEMBL19554129 0.81 SERPINE1 (0.66) SERPINE1KCNK2KCNK10PPARGPPARD
SCHEMBL1307881 0.80 KCNMA1 (0.68) SERPINE1PPARGGRIK1PPARAKDM4E
SCHEMBL330166 0.78 TMPRSS4 (1.00) TMPRSS4TRPV1P2RX1P2RX4P2RX7
SCHEMBL14855607 0.78 KCNMA1 (0.65) SERPINE1GRIK1KDM4EHSD17B10AKR1C4
SCHEMBL14113139 0.78 TMPRSS4 (0.64) TMPRSS4NTRK1TRPV1NTRK2P2RX1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US claimed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
WO-2004022525-A1 AMIDE DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 PIM1, PIM3, PIM2 TMPRSS4 3632/4885SERPINE1 2130/4885KCNK2 952/4885

“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.