SCHEMBL15218633

SCHEMBL15218633

OCc1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MAP2K4 P45985 2/20 0.37
BRAF P15056 1/20 0.37
PARP1 P09874 1/20 0.36
RIPK1 Q13546 1/20 0.34
FYN P06241 2/20 0.34
TSHR P16473 1/20 0.33
EGFR P00533 1/20 0.33
CSF1R P07333 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
PTGS2 P35354 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL1773521 0.84 FYN (0.39) MKNK1MKNK2MAP2K4BRAFPARP1
SCHEMBL2028396 0.83 ADH5 (0.32)
SCHEMBL13411813 0.81 ADH5 (0.36)
SCHEMBL5950322 0.81 TP53 (0.49) TSHREGFR
SCHEMBL8811027 0.81 HRH3 (0.48) PARP1
SCHEMBL23512762 0.79 TP53 (0.47) TSHREGFR
Hydrochloric Acid SCHEMBL958580 0.79 HRH3 (0.46) PARP1
SCHEMBL3576499 0.79 PRKCI (0.49) MAP2K4BRAFPARP1FYN
SCHEMBL7254468 0.79 LMNA (0.50) TSHR
SCHEMBL3062207 0.78 NPC1 (0.33) TSHR

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-9724673-B2 Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles UNIVERSITE DE NANTES (FR) 2017-08-08 US disclosed
US-20140206825-A1 SUPPORTED ALKOXYLATED ORGANOTIN REACTANT, PREPARATION AND USE FOR HETEROGENEOUS-PHASE SYNTHESIS OF TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-24 US disclosed
US-20130225819-A1 USE OF AZIDES IN SYNTHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-29 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-20130225819-A1 USE OF AZIDES IN SYNTHESIS ABL1, ABL2, TST MKNK1 2743/4885MKNK2 2093/4885MAP2K4 3762/4885
US-20140206825-A1 SUPPORTED ALKOXYLATED ORGANOTIN REACTANT, PREPARATION AND USE FOR HETEROGENEOUS-PHASE SYNTHESIS OF TETRAZOLES ALK, TST, TEKT1 MKNK1 2710/4885MKNK2 2023/4885MAP2K4 2590/4885

“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.