SCHEMBL21091193

SCHEMBL21091193

CN1CC[C@H](c2ncc3c(Cl)nccn23)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 8/20 0.35
PDE1B Q01064 7/20 0.34
PDE1A P54750 6/20 0.34
KCNH2 Q12809 4/20 0.34
CHRM1 P11229 3/20 0.32
HRH1 P35367 3/20 0.32
CYP2D6 P10635 2/20 0.32
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL2321250 0.92 PDE1C (0.36) PDE1CPDE1BPDE1AHRH4
SCHEMBL21091174 0.89 PDE1C (0.33) PDE1CPDE1BPDE1AHRH4
SCHEMBL16748877 0.82 PDE1C (0.44) PDE1CPDE1BPDE1AKCNH2
SCHEMBL400651 0.81 PDE1C (0.43) PDE1CPDE1BPDE1AKCNH2
SCHEMBL2326369 0.81 PDE1C (0.36) PDE1CPDE1BPDE1A
SCHEMBL18099738 0.80 PDE1C (0.46) PDE1CPDE1BPDE1A
SCHEMBL23834518 0.80 PDE1C (0.35) PDE1CPDE1BPDE1AHRH4
SCHEMBL2324052 0.80 PDE1C (0.35) PDE1CPDE1BPDE1AHRH4
SCHEMBL2324047 0.80 PDE1C (0.35) PDE1CPDE1BPDE1AHRH4
SCHEMBL2326452 0.80 HSD11B1 (0.35) PDE1CPDE1BPDE1A

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-10752631-B2 Heterocyclic compounds as FGFR inhibitors GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2020-08-25 US disclosed
US-20190177333-A1 HETEROCYCLIC COMPOUNDS AS FGFR INHIBITOR GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2019-06-13 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-20190177333-A1 HETEROCYCLIC COMPOUNDS AS FGFR INHIBITOR FGFR1, FGFR3, FGFR2 PDE1C 3305/4885PDE1B 3091/4885PDE1A 3458/4885
US-10752631-B2 Heterocyclic compounds as FGFR inhibitors FGFR1, FGFR3, FGFR2 PDE1C 3232/4885PDE1B 3021/4885PDE1A 3399/4885

“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.