SCHEMBL19700439

SCHEMBL19700439

Cc1cc(C)n(-c2nc(Nc3cccc(C(F)(F)F)c3)cc(N[C@@H](C(N)=O)C(C)C)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.52
SYK P43405 2/20 0.52
POLB P06746 2/20 0.48
TP53 P04637 3/20 0.47
MAPT P10636 1/20 0.47
AURKA O14965 4/20 0.45
LMNA P02545 2/20 0.44
RECQL P46063 1/20 0.44
THRB P10828 1/20 0.41
KCNN3 Q9UGI6 1/20 0.41
ADORA1 P30542 1/20 0.40

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
SCHEMBL19690922 1.00 ADORA2A (0.52) ADORA2ASYKPOLBTP53MAPT
SCHEMBL19690920 1.00 ADORA2A (0.52) ADORA2ASYKPOLBTP53MAPT
SCHEMBL19700514 0.93 ADORA2A (0.54) ADORA2ASYKPOLBTP53MAPT
SCHEMBL4219122 0.80 POLB (0.72) ADORA2APOLBTP53MAPTLMNA
SCHEMBL19700443 0.80 POLB (0.54) ADORA2APOLBTP53MAPTLMNA
SCHEMBL19690865 0.78 POLB (0.58) ADORA2APOLBTP53MAPTLMNA
SCHEMBL19690850 0.77 POLB (0.46) ADORA2APOLBTP53MAPTAURKA
SCHEMBL19690833 0.75 ADORA2A (0.52) ADORA2APOLBTP53MAPTLMNA
SCHEMBL4219790 0.74 AURKA (0.59) ADORA2APOLBTP53MAPTAURKA
SCHEMBL19690878 0.74 KCNN3 (0.54) ADORA2APOLBTP53MAPTLMNA

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-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 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-20170355708-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1792/4885SYK 3744/4885POLB 4779/4885

“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.