SCHEMBL14754751

SCHEMBL14754751

CC1(C)C(=O)Nc2nc(-c3nc(Cc4ccccc4F)c4ncccn34)nc(NCCC(F)(F)F)c21

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.49

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
SCHEMBL14746248 0.88 PDE5A (0.63) PDE5A
SCHEMBL19480647 0.85 PDE5A (0.59) PDE5A
SCHEMBL14746629 0.83 PDE5A (0.53) PDE5A
SCHEMBL14746119 0.83 GUCY1A1 (0.53) PDE5A
SCHEMBL14746485 0.74 PDE5A (0.70) PDE5A
SCHEMBL14746397 0.73 PDE5A (0.66) PDE5A
SCHEMBL17040007 0.73 GUCY1B2 (0.47)
SCHEMBL14746372 0.73 PDE5A (0.64) PDE5A
SCHEMBL14746017 0.72 PDE5A (0.78) PDE5A
SCHEMBL14754750 0.72 PDE5A (0.72) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 EP disclosed
EP-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 EP disclosed
US-20150105374-A1 Substituted annellated pyrimidines and use thereof BAYER IP GMBH (DE) 2015-04-16 US disclosed
US-20150105374-A1 Substituted annellated pyrimidines and use thereof BAYER IP GMBH (DE) 2015-04-16 US disclosed
US-8859569-B2 Substituted annellated pyrimidines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-14 US disclosed
US-8859569-B2 Substituted annellated pyrimidines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-14 US disclosed
WO-2013030288-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-07 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-20150105374-A1 Substituted annellated pyrimidines and use thereof TYMS, TYMP, NUDT1 PDE5A 1606/4885

“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.