SCHEMBL1307929

SCHEMBL1307929

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
PTPRC P08575 1/20 0.57
PTPN2 P17706 1/20 0.57
PTPN1 P18031 1/20 0.57
PTPRA P18433 1/20 0.57
PTPRB P23467 1/20 0.57
PTPRE P23469 1/20 0.57
PTPN6 P29350 1/20 0.57
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HDAC1 Q13547 1/20 0.49
MAP2K1 Q02750 3/20 0.49
MAP2K2 P36507 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KCNK2 O95069 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
SNCA P37840 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46

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
SCHEMBL1308634 0.89 PTPRC (0.57) NPC1PTPRCPTPN2PTPN1PTPRA
SCHEMBL1308286 0.84 NPC1 (0.57) NPC1MAPTALDH1A1GAAHDAC1
SCHEMBL1308248 0.84 TAS1R3 (0.65) NPC1MAPTALDH1A1KCNK2TAS1R3
SCHEMBL1309690 0.84 PTPRC (0.59) NPC1PTPRCPTPN2PTPN1PTPRA
SCHEMBL1308018 0.84 NTRK1 (0.54) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL6349505 0.82 PTPRC (0.60) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL1308873 0.79 PTPRC (0.56) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL4956878 0.78 TAS1R3 (0.72) NPC1MAPTALDH1A1GAATAS1R3
SCHEMBL1308639 0.78 PTPRC (0.59) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL23242582 0.77 SNCA (0.60) NPC1MAPTHDAC1L3MBTL1SNCA

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 NPC1 3431/4885PTPRC 203/4885PTPN2 284/4885

“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.