SCHEMBL19700463

SCHEMBL19700463

Cc1cc(C)n(-c2cc(N3CCO[C@@H](C(N)=O)C3)nc(Nc3ccc(F)c(F)c3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.41
SCN9A Q15858 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
EGFR P00533 1/20 0.39
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
AKT1 P31749 3/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 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
SCHEMBL19690930 1.00 FPR2 (0.41) FPR2SCN9ASMN1; SMN2EGFRAURKA
SCHEMBL19700464 1.00 FPR2 (0.41) FPR2SCN9ASMN1; SMN2EGFRAURKA
SCHEMBL19690969 0.86 ADORA2A (0.51) FPR2SCN9AADORA2AADORA1
SCHEMBL19690825 0.84 PDE5A (0.42) FPR2SCN9ASMN1; SMN2AURKAAURKB
SCHEMBL19708905 0.82 SMN1; SMN2 (0.57) SMN1; SMN2EGFRAURKAAURKBADORA2A
SCHEMBL19690893 0.80 AURKA (0.47) SMN1; SMN2AURKAAURKBADORA2AADORA1
SCHEMBL19687495 0.79 SMN1; SMN2 (0.43) FPR2SCN9ASMN1; SMN2ADORA2AADORA1
SCHEMBL19686910 0.79 LRRK2 (0.38) FPR2SCN9ASMN1; SMN2ADORA2AADORA1
SCHEMBL19687494 0.78 SMN1; SMN2 (0.42) FPR2SCN9ASMN1; SMN2ADORA2AADORA1
SCHEMBL19690919 0.76 TSHR (0.39) SMN1; SMN2EGFRAURKAAURKBADORA2A

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 FPR2 4185/4885SCN9A 79/4885SMN1; SMN2 841/4885

“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.