SCHEMBL17517364

SCHEMBL17517364

COC(=O)N(C)c1c(N)nc(C(=N)c2cccnc2NCc2ccccc2F)nc1N

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.53
ADORA3 P0DMS8 1/20 0.53
GUCY1A1 Q02108 13/20 0.48
GUCY1B1 Q02153 13/20 0.48
LMNA P02545 1/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SLC26A6 Q9BXS9 2/20 0.36

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
SCHEMBL17517361 0.91 KCNH2 (0.50) KCNH2ADORA3GUCY1A1GUCY1B1LMNA
SCHEMBL17517359 0.86 KCNH2 (0.45) KCNH2ADORA3GUCY1A1GUCY1B1AURKA
SCHEMBL17517365 0.86 KCNH2 (0.40) KCNH2ADORA3GUCY1A1GUCY1B1
SCHEMBL22874060 0.83 AURKA (0.43) LMNAAURKARPS6KB1SMN1; SMN2SLC26A6
SCHEMBL24555972 0.82 GUCY1A1 (0.47) KCNH2ADORA3GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL17517367 0.82 KCNH2 (0.41) KCNH2ADORA3GUCY1A1GUCY1B1AURKA
SCHEMBL17517358 0.81 KCNH2 (0.40) KCNH2ADORA3GUCY1A1GUCY1B1
SCHEMBL15987095 0.80 LMNA (0.38) KCNH2ADORA3LMNAAURKARPS6KB1
SCHEMBL19146434 0.80 LMNA (0.35) KCNH2ADORA3LMNAAURKARPS6KB1
SCHEMBL17517357 0.79 GUCY1A1 (0.43) 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.