SCHEMBL5450182

SCHEMBL5450182

CS(=O)(=O)OC(=NNc1ccc(F)c(C#N)c1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.38
PLA2G7 Q13093 1/20 0.36
RAPGEF3 O95398 2/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 1/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
IDO1 P14902 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
AR P10275 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33

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
SCHEMBL14580463 1.00 GRM4 (0.38) GRM4PLA2G7RAPGEF3SMN1; SMN2HTT
SCHEMBL5441050 0.85 PLA2G7 (0.38) GRM4PLA2G7SMN1; SMN2MEN1KMT2A
SCHEMBL8359192 0.85 PLA2G7 (0.38) GRM4PLA2G7SMN1; SMN2MEN1KMT2A
SCHEMBL5447602 0.84 ABCC9 (0.40) GRM4PLA2G7RAPGEF3ABCC9ABCC8
SCHEMBL14580465 0.84 ABCC9 (0.40) GRM4PLA2G7RAPGEF3ABCC9ABCC8
SCHEMBL6244232 0.82 GRM4 (0.37) GRM4PLA2G7RAPGEF3SMN1; SMN2HTT
SCHEMBL6223374 0.81 GRM4 (0.44) GRM4PLA2G7RAPGEF3SMN1; SMN2HTT
SCHEMBL6223375 0.81 GRM4 (0.44) GRM4PLA2G7RAPGEF3SMN1; SMN2HTT
SCHEMBL14580464 0.81 GRM4 (0.39) GRM4PLA2G7RAPGEF3SMN1; SMN2HTT
SCHEMBL7568763 0.80 PDK1 (0.45) SMN1; SMN2HTTMEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 US disclosed
US-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 US disclosed
US-7153960-B2 Synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
EP-1467984-A4 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO (3,4-C) PYRID-2-ONES BRISTOL MYERS SQUIBB CO (US) 2005-12-07 EP disclosed
US-20050245566-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones ZHOU JIACHENG 2005-11-03 US disclosed
US-6919451-B2 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
EP-1467984-A2 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO (3,4-C) PYRID-2-ONES Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-20030181466-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY 2003-09-25 US disclosed
WO-2003049681-A2 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO [3,4-C] PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 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 (3 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-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES F2, TFPI, TFPI2 GRM4 3878/4885PLA2G7 79/4885RAPGEF3 2541/4885
US-20030181466-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones TFPI, TFPI2, F2 GRM4 3423/4885PLA2G7 111/4885RAPGEF3 2394/4885
US-20050245566-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones F2, TFPI, TFPI2 GRM4 3878/4885PLA2G7 79/4885RAPGEF3 2541/4885

“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.