SCHEMBL23642016

SCHEMBL23642016

CCc1nc2c([nH]1)CNCC2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ADORA3 P0DMS8 3/20 0.34
ADORA1 P30542 3/20 0.34
ADORA2A P29274 2/20 0.34
HTR2C P28335 5/20 0.31
HTR2B P41595 3/20 0.31
HTR2A P28223 2/20 0.31
DDAH1 O94760 1/20 0.31

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
SCHEMBL5227586 0.76 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL22487790 0.75 ADORA1 (0.38) ADORA3ADORA1ADORA2ADDAH1
SCHEMBL9178197 0.75 HRH4 (0.38) ADORA3ADORA1ADORA2ADDAH1
SCHEMBL6290064 0.75 PDCD1 (0.47) PDCD1CD274HTR2CHTR2BHTR2A
SCHEMBL5228377 0.73 HTR2C (0.49) ADORA3HTR2CHTR2B
SCHEMBL18238079 0.70 PDCD1 (0.40) PDCD1CD274HTR2CHTR2BHTR2A
SCHEMBL21672237 0.70 PDCD1 (0.40) PDCD1CD274HTR2CHTR2BHTR2A
SCHEMBL19033524 0.70 HTR2C (0.30) HTR2C
SCHEMBL12989184 0.69 HRH4 (0.38) ADORA3ADORA1ADORA2AHTR2CDDAH1
SCHEMBL18238710 0.67 ADORA3 (0.32) ADORA3ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES Epizyme, Inc. 2021-07-15 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-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES EHMT2, BHMT2, BHMT PDCD1 365/4885CD274 584/4885ADORA3 3042/4885

“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.