SCHEMBL1973206

SCHEMBL1973206

N=C(NO)c1ccccc1Cc1nc2c(cnn2C2CCC(F)(F)CC2)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 20/20 0.53
PDE1C Q14123 2/20 0.53

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
SCHEMBL534772 0.88 PDE9A (0.69) PDE9APDE1C
SCHEMBL6341453 0.86 PDE9A (0.58) PDE9APDE1C
SCHEMBL6342227 0.84 PDE9A (0.56) PDE9APDE1C
SCHEMBL6343939 0.84 PDE9A (0.58) PDE9APDE1C
SCHEMBL6341339 0.84 PDE9A (0.58) PDE9APDE1C
SCHEMBL19192340 0.84 PDE9A (0.61) PDE9APDE1C
SCHEMBL6341511 0.83 PDE9A (0.58) PDE9APDE1C
SCHEMBL6369457 0.83 PDE9A (0.57) PDE9APDE1C
SCHEMBL19193533 0.82 PDE9A (0.56) PDE9APDE1C
SCHEMBL6342469 0.82 PDE9A (0.79) PDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334684-B1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
EP-2334684-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed
WO-2010026214-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 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-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CNR1, CNR2, CHRM5 PDE9A 1374/4885PDE1C 765/4885

“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.