SCHEMBL986647

SCHEMBL986647

COCOc1cc(OCC2CC2)c(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
EGFR P00533 1/20 0.32
SCN9A Q15858 3/20 0.31
CNR2 P34972 2/20 0.30
CNR1 P21554 1/20 0.30
SCN5A Q14524 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
SCHEMBL984296 0.89 EGFR (0.37) BACE1BACE2HTR2AHTR2CHTR2B
SCHEMBL982646 0.84 EGFR (0.37) BACE1BACE2HTR2AHTR2CHTR2B
SCHEMBL31753982 0.82 EGFR (0.36) EGFR
SCHEMBL1438627 0.81 HTR2A (0.33) HTR2AHTR2CHTR2BEGFRSCN9A
SCHEMBL981760 0.78 HTR2C (0.45) HTR2AHTR2CHTR2B
SCHEMBL22323620 0.78 EGFR (0.43) HTR2AHTR2CHTR2BEGFR
SCHEMBL29447049 0.78 EGFR (0.43) HTR2AHTR2CHTR2BEGFR
SCHEMBL983516 0.77 HTR2C (0.47) HTR2AHTR2CHTR2B
SCHEMBL22324244 0.76 EGFR (0.33) EGFR
SCHEMBL29326257 0.76 EGFR (0.33) HTR2AHTR2CEGFR

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-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A BACE1 1918/4885BACE2 2067/4885HTR2A 3062/4885

“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.