SCHEMBL19807380

SCHEMBL19807380

CNc1nc(Cl)nc2c1ncn2C1(O)CC2CC2(CO)C1O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 12/20 0.56
▸ HTR2B P41595 3/20 0.56
▸ HTR2C P28335 2/20 0.56
▸ ADORA1 P30542 9/20 0.46
▸ ADORA2A P29274 5/20 0.46
▸ YTHDC1 Q96MU7 3/20 0.44
▸ TMIGD3 P0DMS9 1/20 0.44

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
SCHEMBL19807554 0.86 HTR2B (0.43) ADORA3HTR2BHTR2CADORA1ADORA2A
SCHEMBL21710773 0.84 ADORA3 (0.54) ADORA3HTR2BHTR2CADORA1ADORA2A
SCHEMBL21710871 0.80 ADORA3 (0.64) ADORA3ADORA1ADORA2A
SCHEMBL21710750 0.76 ADORA3 (0.52) ADORA3ADORA1ADORA2A
SCHEMBL24220489 0.75 ADORA3 (0.63) ADORA3HTR2BADORA1ADORA2A
SCHEMBL22933030 0.73 P2RY1 (0.44) ADORA3HTR2BHTR2CADORA1ADORA2A
SCHEMBL22937442 0.73 P2RY1 (0.44) ADORA3HTR2BHTR2CADORA1ADORA2A
SCHEMBL26934922 0.73 P2RY1 (0.44) ADORA3HTR2BHTR2CADORA1ADORA2A
SCHEMBL19464934 0.72 HTR2B (1.00) ADORA3HTR2BHTR2CADORA1ADORA2A
SCHEMBL19464867 0.72 HTR2B (1.00) ADORA3HTR2BHTR2CADORA1ADORA2A

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-10265338-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2019-04-23 — — US disclosed
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2018-01-25 — — 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-10265338-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885HTR2B 1044/4885HTR2C 1443/4885
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885HTR2B 1044/4885HTR2C 1443/4885

“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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