SCHEMBL21035571

SCHEMBL21035571

COc1nc(C2CC2)nc2c1CCNC2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.47
HTR2A P28223 8/20 0.47
HTR2B P41595 8/20 0.47
CHRM3 P20309 2/20 0.38
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
PDE10A Q9Y233 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL21003264 0.88 HTR2C (0.40) HTR2CHTR2AHTR2BCHRM3PDE10A
SCHEMBL26866100 0.78 HTR2C (0.43) HTR2CHTR2AHTR2BCHRM3CHRM2
SCHEMBL21035800 0.74 HTR2C (0.45) HTR2CHTR2AHTR2BCHRM3CHRM2
SCHEMBL24730855 0.74 HTR2C (0.41) HTR2CCHRM3CHRM2CHRM4CHRM5
SCHEMBL3421865 0.73 HTR2A (0.45) HTR2CHTR2AHTR2BPDE10A
SCHEMBL4393506 0.73 HTR2C (0.40) HTR2CHTR2AHTR2BCHRM3CHRM2
SCHEMBL14483531 0.73 HTR2C (0.34) HTR2CHTR2AHTR2BCHRM3
Hydrochloric Acid SCHEMBL1262001 0.72 HTR2A (0.44) HTR2CHTR2AHTR2BPDE10A
SCHEMBL16210048 0.70 HTR2C (0.51) HTR2CHTR2AHTR2BCHRM3PDE10A
SCHEMBL30793125 0.70 HTR2C (0.50) HTR2CHTR2AHTR2BCHRM3CHRM2

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
US-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-09-21 US disclosed
EP-3717488-B1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2021-09-29 EP disclosed
WO-2019104285-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE, LLC (US) 2019-05-31 WO 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-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS PDE4A, PDE5A, PDE3A HTR2C 2093/4885HTR2A 1202/4885HTR2B 544/4885

“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.