SCHEMBL21036396

SCHEMBL21036396

c1nc2c(c(N3CCCC3)n1)CCNC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.42
HTR2A P28223 3/20 0.42
HTR2B P41595 3/20 0.42
HTT P42858 4/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 3/20 0.40
JAK3 P52333 2/20 0.40
ALOX15 P16050 1/20 0.40
AKT2 P31751 1/20 0.40
MAP3K5 Q99683 1/20 0.40
DRD2 P14416 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
JAK2 O60674 1/20 0.35
ABCC1 P33527 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LRRK2 Q5S007 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL19964203 0.95 HTR2C (0.42) HTR2CHTR2AHTR2BHTTMAPK1
SCHEMBL21908515 0.94 HTR2C (0.43) HTR2CHTR2AHTR2BHTTMAPK1
SCHEMBL21005165 0.94 HTR2C (0.40) HTR2CHTR2AHTR2BHTTMAPK1
SCHEMBL21319813 0.90 DRD2 (0.45) HTR2CHTTLMNADRD2ABCC1
SCHEMBL31597918 0.86 HTR2C (0.49) HTR2CHTR2BHTTMAPK1JAK3
SCHEMBL5265623 0.86 HTR2C (0.49) HTR2CHTR2BHTTMAPK1JAK3
SCHEMBL4083552 0.83 HRH1 (0.45) HTR2CHTR2AHTR2BHTTLMNA
SCHEMBL20042807 0.81 CYP1A2 (0.42) HTR2CHTTMAPK1TP53LMNA
SCHEMBL21003147 0.80 CYP1A2 (0.33) HTR2CHTR2AHTR2B
SCHEMBL21036397 0.80 LRRK2 (0.38) HTR2CHTR2AHTR2BJAK3AKT2

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.