SCHEMBL17307875

SCHEMBL17307875

Oc1nc(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)cnc1Sc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 19/20 0.54
▸ GUCY1A2 P33402 19/20 0.54
▸ GUCY1A1 Q02108 19/20 0.54
▸ GUCY1B1 Q02153 19/20 0.54
▸ OPRK1 P41145 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39

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
SCHEMBL17307876 0.90 GUCY1B2 (0.56) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15069068 0.85 GUCY1B2 (0.54) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL10269509 0.78 GUCY1B2 (0.65) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437253 0.77 GUCY1B2 (0.68) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15068532 0.76 GUCY1B2 (0.56) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437542 0.73 GUCY1B2 (0.56) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16058247 0.72 GUCY1B2 (0.65) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3439312 0.72 GUCY1B2 (0.71) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437164 0.72 GUCY1B2 (0.72) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15087445 0.72 GUCY1B2 (0.64) 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 2 patents. 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
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.

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