SCHEMBL21710883

SCHEMBL21710883

CNc1nc(SC)nc2c1ncn2C1C(O)C(O)[C@@]2(CO)CC12

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 14/20 0.75
▸ HTR2C P28335 12/20 0.75
▸ ADORA3 P0DMS8 8/20 0.75
▸ ADRA2B P18089 1/20 0.63
▸ HTR2A P28223 1/20 0.63
▸ ADORA1 P30542 10/20 0.58
▸ TMIGD3 P0DMS9 7/20 0.58
▸ ADORA2A P29274 6/20 0.58
▸ SLC6A3 Q01959 1/20 0.56
▸ P2RY1 P47900 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ HSP90B1 P14625 1/20 0.56

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
SCHEMBL19464939 1.00 HTR2B (0.75) HTR2BHTR2CADORA3ADRA2BHTR2A
SCHEMBL19807536 1.00 HTR2B (0.75) HTR2BHTR2CADORA3ADRA2BHTR2A
SCHEMBL19464936 1.00 HTR2B (0.75) HTR2BHTR2CADORA3ADRA2BHTR2A
SCHEMBL19464923 1.00 HTR2B (0.75) HTR2BHTR2CADORA3ADRA2BHTR2A
SCHEMBL19464987 0.90 HTR2B (0.63) HTR2BHTR2CADORA3ADRA2BHTR2A
SCHEMBL19799161 0.87 HTR2B (0.79) HTR2BHTR2CADORA3ADORA1TMIGD3
SCHEMBL19459518 0.87 HTR2B (0.79) HTR2BHTR2CADORA3ADORA1TMIGD3
SCHEMBL19459477 0.87 HTR2B (0.79) HTR2BHTR2CADORA3ADORA1TMIGD3
SCHEMBL19459443 0.87 HTR2B (0.79) HTR2BHTR2CADORA3ADORA1TMIGD3
SCHEMBL23098401 0.86 P2RY1 (0.73) HTR2BHTR2CADORA3ADRA2BHTR2A

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
US-10953031-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2021-03-23 — — US disclosed
US-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2020-02-13 — — 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-10953031-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 HTR2B 1044/4885HTR2C 1443/4885ADORA3 778/4885
US-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 HTR2B 1044/4885HTR2C 1443/4885ADORA3 778/4885

“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.

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