SCHEMBL21370638

SCHEMBL21370638

C=C(F)/C(=C\C=C/C)Cn1nc(-c2ncc(F)c(Cl)n2)cc1-c1ccon1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.45
▸ GUCY1A2 P33402 20/20 0.45
▸ GUCY1A1 Q02108 20/20 0.45
▸ GUCY1B1 Q02153 20/20 0.45
▸ OPRK1 P41145 1/20 0.40
▸ CYP2C9 P11712 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
SCHEMBL24297454 0.84 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18404922 0.84 GUCY1B2 (0.54) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL26341747 0.83 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18899295 0.82 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18404932 0.79 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL22046530 0.77 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL18899317 0.76 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16058766 0.74 GUCY1B2 (0.53) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL26341836 0.74 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18899337 0.74 — —

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-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC 2019-09-19 — — 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-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS PTGIS, GMPS, NOS3 GUCY1B2 23/4885GUCY1A2 15/4885GUCY1A1 16/4885

“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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