SCHEMBL17517367

SCHEMBL17517367

[2H]c1nc(NCc2ccccc2F)c(C(=N)c2nc(N)c(N(C(=O)OC)C([2H])([2H])[2H])c(N)n2)c([2H])c1[2H]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.41
ADORA3 P0DMS8 1/20 0.41
GUCY1A1 Q02108 11/20 0.39
GUCY1B1 Q02153 11/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
SLC26A6 Q9BXS9 2/20 0.34
STAT6 P42226 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL17517359 0.95 KCNH2 (0.45) KCNH2ADORA3GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL17517360 0.93 GUCY1A1 (0.39) KCNH2ADORA3GUCY1A1GUCY1B1
SCHEMBL17517357 0.88 GUCY1A1 (0.43) KCNH2ADORA3GUCY1A1GUCY1B1
SCHEMBL17517355 0.82 GUCY1A1 (0.34) KCNH2ADORA3GUCY1A1GUCY1B1
SCHEMBL17517366 0.82 GUCY1A1 (0.30) GUCY1A1GUCY1B1
SCHEMBL17517364 0.82 KCNH2 (0.53) KCNH2ADORA3GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL17517356 0.77 GUCY1A1 (0.34) KCNH2ADORA3GUCY1A1GUCY1B1
SCHEMBL17517361 0.76 KCNH2 (0.50) KCNH2ADORA3GUCY1A1GUCY1B1
SCHEMBL24555972 0.75 GUCY1A1 (0.47) KCNH2ADORA3GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL17517365 0.74 KCNH2 (0.40) KCNH2ADORA3GUCY1A1GUCY1B1

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-20160122347-A1 4,6-DIAMINOPYRIMIDINE STIMULATORS OF SOLUBLE GUANYLATE CYCLASE AUSPEX PHARMACEUTICALS INC (US) 2016-05-05 US disclosed
US-9260424-B2 4,6-diaminopyrimidine stimulators of soluble guanylate cyclase AUSPEX PHARMACEUTICALS, INC. (US) 2016-02-16 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-20160122347-A1 4,6-DIAMINOPYRIMIDINE STIMULATORS OF SOLUBLE GUANYLATE CYCLASE GUCY1B2, GUCY1A2, GUCY1A1 KCNH2 1463/4885ADORA3 191/4885GUCY1A1 3/4885

“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.