SCHEMBL17738071

SCHEMBL17738071

N/C(=N/O)c1ccc(OC(F)(F)F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.52
RECQL P46063 1/20 0.46
SLC1A5 Q15758 2/20 0.40
KMO O15229 2/20 0.39
SCN9A Q15858 1/20 0.36
PYGL P06737 1/20 0.36
ROCK2 O75116 1/20 0.35

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
SCHEMBL2327740 1.00 GRIN2B (0.52) GRIN2BRECQLSLC1A5KMOSCN9A
SCHEMBL2327736 1.00 GRIN2B (0.52) GRIN2BRECQLSLC1A5KMOSCN9A
SCHEMBL16088877 0.88 GRIN2B (0.52) GRIN2BRECQLPYGL
SCHEMBL2326788 0.83 RECQL (0.47) GRIN2BRECQL
SCHEMBL2326792 0.83 RECQL (0.47) GRIN2BRECQL
SCHEMBL12185099 0.81 RECQL (0.50) GRIN2BRECQL
SCHEMBL1109099 0.81 SLC6A2 (0.48) GRIN2BKMOSCN9AROCK2
SCHEMBL16088880 0.79 RECQL (0.44) GRIN2BRECQL
SCHEMBL17730781 0.79 RECQL (0.68) RECQL
SCHEMBL17737721 0.79 RECQL (0.68) RECQL

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
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 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-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 GRIN2B 3168/4885RECQL 1094/4885SLC1A5 4342/4885

“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.