SCHEMBL21036409

SCHEMBL21036409

C=C(C)c1ncnc2c1CCNC2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.30
KDR P35968 1/20 0.30
PNMT P11086 1/20 0.30

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 SCHEMBL21003170 0.89 KDR (0.33) KDRPNMT
SCHEMBL4984720 0.79 TSHR (0.33) KDR
SCHEMBL25678467 0.75 CYP1A2 (0.36) CD44KDRPNMT
SCHEMBL29428699 0.74 KDM4E (0.33) CD44KDRPNMT
SCHEMBL17298716 0.74 KDM4E (0.33) CD44KDRPNMT
SCHEMBL19617837 0.74 KDR (0.31) KDR
SCHEMBL19617838 0.74 SIGMAR1 (0.30) KDR
Hydrochloric Acid SCHEMBL18010982 0.73 KDM4E (0.32) CD44KDRPNMT
SCHEMBL21036380 0.70 HTR2C (0.33) CD44PNMT
SCHEMBL4987970 0.70 CD44 (0.38) CD44KDRPNMT

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 CD44 3604/4885KDR 463/4885PNMT 528/4885

“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.