SCHEMBL174746

SCHEMBL174746

Cn1ncc2c(O)nc(C(F)(F)c3ccc(F)cc3)nc21

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.44
PDE2A O00408 7/20 0.41
TP53 P04637 1/20 0.38
BCDIN3D Q7Z5W3 1/20 0.37
GAA P10253 1/20 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
SCHEMBL174355 0.84 HTR2C (0.42) HTR2CPDE2ATP53BCDIN3DGAA
SCHEMBL173618 0.83 SIGMAR1 (0.31) PDE2A
SCHEMBL23579577 0.80 PDE2A (0.47) HTR2CPDE2ABCDIN3DGAA
SCHEMBL30033642 0.80 PDE2A (0.47) HTR2CPDE2ABCDIN3DGAA
SCHEMBL174842 0.77 GAA (0.43) GAA
SCHEMBL164859 0.74 ADORA3 (0.43)
SCHEMBL173716 0.73 PLK4 (0.58) HTR2C
SCHEMBL174952 0.71 PIK3CA (0.42)
SCHEMBL164199 0.71 CCNE2 (0.41) GAA
SCHEMBL164991 0.69 GRM2 (0.41)

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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 HTR2C 2439/4885PDE2A 1743/4885TP53 614/4885

“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.