SCHEMBL21743293

SCHEMBL21743293

Sc1cc2n(n1)CCNC2

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
SOD3 P08294 1/20 0.36
HTR2A P28223 6/20 0.35
HTR2C P28335 6/20 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
SCHEMBL16221369 0.78 PDCD1 (0.44) PDCD1CD274SOD3HTR2AHTR2C
SCHEMBL14930383 0.77 PDCD1 (0.50) PDCD1CD274SOD3HTR2AHTR2C
SCHEMBL19042311 0.77 PDCD1 (0.43) PDCD1CD274SOD3HTR2AHTR2C
SCHEMBL20912789 0.77 PDCD1 (0.43) PDCD1CD274SOD3HTR2AHTR2C
SCHEMBL16220584 0.77 PDCD1 (0.43) PDCD1CD274SOD3HTR2AHTR2C
Hydrochloric Acid SCHEMBL23778209 0.76 PDCD1 (0.43) PDCD1CD274SOD3HTR2AHTR2C
Hydrochloric Acid SCHEMBL23779043 0.76 PDCD1 (0.43) PDCD1CD274SOD3HTR2AHTR2C
Hydrochloric Acid SCHEMBL23778179 0.76 PDCD1 (0.43) PDCD1CD274SOD3HTR2AHTR2C
Hydrochloric Acid SCHEMBL30756344 0.76 PDCD1 (0.43) PDCD1CD274SOD3HTR2AHTR2C
SCHEMBL14925553 0.74 PDCD1 (0.45) PDCD1CD274SOD3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127071-A1 BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2020-02-20 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 (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-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 PDCD1 2334/4885CD274 3730/4885SOD3 587/4885

“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.