SCHEMBL19009019

SCHEMBL19009019

ONCc1cncc(B(O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
IDO1 P14902 1/20 0.34
ENPP2 Q13822 2/20 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
SCHEMBL17997487 0.83 DYRK1A (0.36) ENPP2
SCHEMBL15940842 0.78 ENPP2 (0.50) ENPP2
SCHEMBL23732879 0.76 KMT2A (0.41) ENPP2
SCHEMBL1303307 0.76 LPL (0.48) ENPP2
Hydrochloric Acid SCHEMBL29955592 0.76 ENPP2 (0.48) ENPP2
SCHEMBL28967087 0.73 ENPP2 (0.36) ENPP2
SCHEMBL12831165 0.73 MAPT (0.40)
SCHEMBL9952165 0.73 ENPP2 (0.34) ENPP2
SCHEMBL2067301 0.72 CYP11B2 (0.42) ENPP2
SCHEMBL17556274 0.72 CHRNB2 (0.43) THRBENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10517872-B2 Pyridazinone macrocycles as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-12-31 US disclosed
US-20170173019-A1 PYRIDAZINONE MACROCYCLES AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
US-20170173019-A1 PYRIDAZINONE MACROCYCLES AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US 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 (2 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-10517872-B2 Pyridazinone macrocycles as IRAK inhibitors and uses thereof IRAK2, IRAK1, IRAK3 THRB 1100/4885IDO1 1631/4885ENPP2 1882/4885
US-20170173019-A1 PYRIDAZINONE MACROCYCLES AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK1, IRAK3 THRB 1100/4885IDO1 1631/4885ENPP2 1882/4885

“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.