SCHEMBL1308406

SCHEMBL1308406

O=C(Cl)c1sccc1SCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 7/20 0.77
▸ PTPRG P23470 7/20 0.62
▸ MAPT P10636 3/20 0.55
▸ PTPN1 P18031 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL8627360 0.81 PTPRC (0.71) PTPRCPTPRGMAPTPTPN1KMT2A
SCHEMBL7830138 0.77 PTPRG (1.00) PTPRCPTPRGMAPTPTPN1KMT2A
SCHEMBL4021401 0.74 PTPRC (0.75) PTPRCPTPRGMAPTPTPN1KMT2A
SCHEMBL6291181 0.73 KMT2A (0.60) PTPRCPTPRGKMT2ALMNAL3MBTL1
SCHEMBL4015736 0.72 PTPRC (0.58) PTPRCPTPRGMAPTPTPN1KMT2A
SCHEMBL19114848 0.71 PTPRC (0.58) PTPRCPTPRGMAPTKMT2ALMNA
SCHEMBL7825081 0.71 L3MBTL1 (0.69) PTPRCPTPRGMAPTKMT2ALMNA
SCHEMBL7886053 0.71 KMT2A (0.39) PTPRCPTPRGMAPTKMT2ALMNA
SCHEMBL7509205 0.71 PTPRG (1.00) PTPRCPTPRGMAPTPTPN1KMT2A
SCHEMBL8794570 0.70 PTPRC (0.56) PTPRCPTPRGMAPTKMT2ALMNA

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-1940792-B1 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES AS INHIBITORS OF PIM-1 AND/OR PIM-3 EXELIXIS INC (US) 2014-06-04 — — EP disclosed
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
EP-1940792-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-1 AND/OR PIM-3 Exelixis, Inc. (US) 2008-07-09 — — EP disclosed
WO-2007044724-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-I AND/OR PIM-3 EXELIXIS, INC. (US) 2007-04-19 — — 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 PTPRC 203/4885PTPRG 916/4885MAPT 3606/4885

“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.

Send feedback