SCHEMBL18080396

SCHEMBL18080396

CC(C)n1cc(Cn2ccnn2)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.36
CCR1 P32246 8/20 0.34
CCR2 P41597 8/20 0.34
CCR4 P51679 7/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
MET P08581 1/20 0.32
ROCK2 O75116 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32

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
SCHEMBL16631906 0.85 CYP19A1 (0.38) CYP19A1CCR1CCR2CCR4PTGDR2
SCHEMBL18080394 0.80 MAPK1 (0.33) MET
SCHEMBL18080395 0.78 NTRK1 (0.32)
SCHEMBL18080393 0.77 CYP19A1 (0.33) CYP19A1METCYP2C19
SCHEMBL18080397 0.76 PTGDR2 (0.36) CYP19A1CCR1CCR2CCR4PTGDR2
SCHEMBL10137841 0.74 SMN1; SMN2 (0.41) METCYP2C19
SCHEMBL18080400 0.74 CYP19A1 (0.50) CYP19A1MET
SCHEMBL18080372 0.73 NOTUM (0.36) MET
SCHEMBL18858876 0.71 MET (0.39) METCYP2C19
SCHEMBL21637955 0.71 SMN1; SMN2 (0.36) METCYP2C19

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 CYP19A1 4868/4885CCR1 3027/4885CCR2 2534/4885

“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.