SCHEMBL17309232

SCHEMBL17309232

N#CC1(C(=O)Nc2cnc(-c3cc(-c4ncco4)n(Cc4ccccc4F)n3)nc2O)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 20/20 0.49
GUCY1A2 P33402 20/20 0.49
GUCY1A1 Q02108 20/20 0.49
GUCY1B1 Q02153 20/20 0.49
OPRK1 P41145 1/20 0.40

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
SCHEMBL15068621 0.93 GUCY1B2 (0.49) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3436635 0.89 GUCY1B2 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437523 0.88 GUCY1B2 (0.50) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL10330299 0.86 GUCY1B2 (0.50) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16202158 0.85 GUCY1B2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15087442 0.82 GUCY1B2 (0.52) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15779799 0.82 GUCY1B2 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437542 0.81 GUCY1B2 (0.56) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL10330264 0.81 GUCY1B2 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437539 0.81 GUCY1B2 (0.65) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150342954-A1 2-BENZYL, 3-(PYRIMIDIN-2-YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-12-03 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-20150342954-A1 2-BENZYL, 3-(PYRIMIDIN-2-YL) SUBSTITUTED PYRAZOLES USEFUL AS SGC STIMULATORS PTGIS, PDE3B, GMPS GUCY1B2 9/4885GUCY1A2 4/4885GUCY1A1 14/4885

“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.