SCHEMBL20344446

SCHEMBL20344446

CNC(=O)c1cc(Cc2ccccc2)[nH]n1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.72
ITK Q08881 1/20 0.54
RIPK1 Q13546 4/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
BRD4 O60885 3/20 0.52
TACR3 P29371 1/20 0.49
KDM5A P29375 1/20 0.48

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
SCHEMBL20344653 0.87 HCAR2 (0.54) HCAR2ITKRIPK1
SCHEMBL21156317 0.87 HCAR2 (0.54) HCAR2ITKRIPK1HPGDTSHR
SCHEMBL12703568 0.84 HCAR2 (1.00) HCAR2HPGDTSHRTACR3
SCHEMBL23189158 0.82 HCAR2 (0.72) HCAR2RIPK1HPGDTSHRTACR3
SCHEMBL15964745 0.81 HCAR2 (0.77) HCAR2RIPK1HPGDTSHRTACR3
SCHEMBL23189249 0.81 HCAR2 (0.70) HCAR2ITKRIPK1HPGDTSHR
SCHEMBL20344646 0.80 HCAR2 (0.47) HCAR2
SCHEMBL16979044 0.79 HCAR2 (0.66) HCAR2
SCHEMBL12703567 0.78 HCAR2 (0.67) HCAR2HPGDTSHRTACR3
SCHEMBL8053488 0.78 HCAR2 (0.46) HCAR2

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
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
US-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2019-04-18 US disclosed
EP-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 EP 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-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB HCAR2 3504/4885ITK 567/4885RIPK1 416/4885

“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.