SCHEMBL21165822

SCHEMBL21165822

FCc1ccn(-c2nc(NC3CCC(F)CC3)cc(N3CCOCC3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.40
KDM4E B2RXH2 8/20 0.39
LMNA P02545 5/20 0.39
CHRM3 P20309 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
NUDT1 P36639 1/20 0.38
MAPT P10636 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 3/20 0.37
NSD2 O96028 1/20 0.37
MAPK1 P28482 1/20 0.37
MPI P34949 1/20 0.37
ALDH1A1 P00352 4/20 0.36
GAA P10253 4/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL19687391 0.90 IDH1 (0.42) PIK3CAKDM4ELMNACHRM3PDE4A
SCHEMBL21165858 0.87 KDM4E (0.37) PIK3CAKDM4ELMNAMAPTMEN1
SCHEMBL19686381 0.86 ADORA2A (0.43) PIK3CAKDM4ELMNACHRM3PDE4A
SCHEMBL21144159 0.82 IDH1 (0.42) PIK3CAKDM4ELMNAMAPTMEN1
SCHEMBL21144199 0.81 OPRK1 (0.36) MEN1KMT2AMAPK1
SCHEMBL19687008 0.80 IDH1 (0.40) PIK3CAKDM4ELMNAMAPTMEN1
SCHEMBL19690995 0.79 MAPT (0.46) PIK3CAKDM4ELMNAMAPTMAPK1
SCHEMBL19690907 0.78 LMNA (0.43) PIK3CAKDM4ELMNAMAPTMEN1
SCHEMBL19686332 0.78 IDH1 (0.42) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19686702 0.77 PIK3CA (0.51) PIK3CAKDM4ELMNACHRM3PDE4A

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-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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 (2 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 PIK3CA 1182/4885KDM4E 1648/4885LMNA 1529/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 PIK3CA 1182/4885KDM4E 1648/4885LMNA 1529/4885

“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.