SCHEMBL1758665

SCHEMBL1758665

Clc1nccn2c(C3CC4(C3)OCCO4)ncc12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 4/20 0.32
PDE1A P54750 2/20 0.32
PDE1B Q01064 2/20 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
SCHEMBL593295 0.80 TNK2 (0.40)
SCHEMBL4370132 0.80 TNK2 (0.40)
SCHEMBL16748877 0.79 PDE1C (0.44) PDE1CPDE1APDE1B
SCHEMBL2327173 0.79 PDE1C (0.50) PDE1CPDE1APDE1B
SCHEMBL400651 0.78 PDE1C (0.43) PDE1CPDE1APDE1B
SCHEMBL397564 0.77 PDE1C (0.32) PDE1CPDE1APDE1B
SCHEMBL18099738 0.77 PDE1C (0.46) PDE1CPDE1APDE1B
SCHEMBL13962521 0.76 PDE1C (0.47) PDE1CPDE1APDE1B
SCHEMBL16748881 0.76 TNK2 (0.34) PDE1CPDE1APDE1B
SCHEMBL2321250 0.75 PDE1C (0.36) PDE1CPDE1APDE1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220595-A1 Deuterated Tyrosine Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-08-30 US disclosed
US-20120220595-A1 Deuterated Tyrosine Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-08-30 US disclosed
US-20120220595-A1 Deuterated Tyrosine Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-08-30 US disclosed
WO-2011060112-A1 DEUTERATED TYROSINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2011-05-19 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-20120220595-A1 Deuterated Tyrosine Kinase Inhibitors IGF1R, INSR, IRS1 PDE1C 2504/4885PDE1A 2253/4885PDE1B 1771/4885

“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.