SCHEMBL19251703

SCHEMBL19251703

Cc1nc2c(cc1F)c(-c1nc(NCC(N)(CF)CF)c3c(n1)NC(=O)C3(C)C(F)(F)F)nn2Cc1ncccc1F

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.46
GUCY1A1 Q02108 1/20 0.41
GUCY1B1 Q02153 1/20 0.41

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
SCHEMBL17550787 0.93 PDE5A (0.52) PDE5A
SCHEMBL17550783 0.91 PDE5A (0.53) PDE5AGUCY1A1GUCY1B1
SCHEMBL19251704 0.90 PDE5A (0.56) PDE5A
SCHEMBL17541929 0.89 PDE5A (0.58) PDE5A
SCHEMBL17550779 0.87 PDE5A (0.56) PDE5AGUCY1A1GUCY1B1
SCHEMBL19228862 0.86 PDE5A (0.52) PDE5AGUCY1A1GUCY1B1
SCHEMBL17541926 0.84 PDE5A (0.52) PDE5A
SCHEMBL19251700 0.84 PDE5A (0.59) PDE5A
SCHEMBL17541182 0.83 PDE5A (0.49) PDE5AGUCY1A1GUCY1B1
SCHEMBL19205308 0.83 PDE5A (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240566-A1 AMINO-SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 US disclosed
US-20170240566-A1 AMINO-SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 US disclosed
US-20170240566-A1 AMINO-SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 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 (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-20170240566-A1 AMINO-SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF TYMP, TYMS, DPYD PDE5A 1769/4885GUCY1A1 3235/4885GUCY1B1 2668/4885

“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.