SCHEMBL21036397

SCHEMBL21036397

F[C@H]1CCN(c2ncnc3c2CCNC3)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.38
AKT1 P31749 3/20 0.34
JAK3 P52333 2/20 0.33
AKT2 P31751 4/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KIT P10721 1/20 0.32
GSK3B P49841 1/20 0.32
ACACB O00763 1/20 0.32
CYP1A2 P05177 1/20 0.31
PRKDC P78527 1/20 0.31
KCNH2 Q12809 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
SCHEMBL21036381 1.00 LRRK2 (0.38) LRRK2AKT1JAK3AKT2HTR2A
SCHEMBL21036384 1.00 LRRK2 (0.38) LRRK2AKT1JAK3AKT2HTR2A
Hydrochloric Acid SCHEMBL21003115 0.99 LRRK2 (0.38) LRRK2AKT1JAK3AKT2HTR2A
Hydrochloric Acid SCHEMBL21003252 0.99 LRRK2 (0.38) LRRK2AKT1JAK3AKT2HTR2A
Hydrochloric Acid SCHEMBL21003114 0.99 LRRK2 (0.38) LRRK2AKT1JAK3AKT2HTR2A
SCHEMBL21003147 0.90 CYP1A2 (0.33) HTR2AHTR2CHTR2BCYP1A2PRKDC
SCHEMBL21036396 0.80 HTR2C (0.42) LRRK2JAK3AKT2HTR2AHTR2C
SCHEMBL21319813 0.80 DRD2 (0.45) HTR2C
SCHEMBL21005165 0.77 HTR2C (0.40) JAK3AKT2HTR2AHTR2CHTR2B
SCHEMBL4083552 0.76 HRH1 (0.45) HTR2AHTR2CHTR2B

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 LRRK2 1757/4885AKT1 460/4885JAK3 1288/4885

“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.