SCHEMBL20153241

SCHEMBL20153241

O=C(NC1CCC(F)(F)CC1)Oc1cc(N2CCOCC2)nc(-n2ccc(C3CC3)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.35
IDH1 O75874 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
NAPEPLD Q6IQ20 6/20 0.33
CNR2 P34972 2/20 0.33
KDM1A O60341 1/20 0.33
CREBBP Q92793 1/20 0.32
CD38 P28907 1/20 0.32
SHMT2 P34897 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BRAF P15056 2/20 0.32
SMO Q99835 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
SCHEMBL19686896 0.81 IDH1 (0.42) IDH1PIK3CAALDH1A1
SCHEMBL19686424 0.78 CHRM3 (0.41) IDH1PIK3CAALDH1A1
SCHEMBL21143734 0.77 PIK3CA (0.42) RAF1PIK3CAPIK3CBNAPEPLDCNR2
SCHEMBL20153240 0.77 NAPEPLD (0.33) RAF1IDH1PIK3CDPIK3CAPIK3CB
SCHEMBL21143807 0.77 KDM1A (0.36) RAF1PIK3CAPIK3CBNAPEPLDCNR2
SCHEMBL21144008 0.75 IDH1 (0.43) IDH1CD38
SCHEMBL19686895 0.74 ATR (0.33) RAF1PIK3CDPIK3CAPIK3CBCREBBP
SCHEMBL21144111 0.73 IDH1 (0.39) IDH1KDM1ACD38
SCHEMBL19686482 0.71 KDM4E (0.43) RAF1IDH1PIK3CACREBBPALDH1A1
SCHEMBL19687051 0.71 IDH1 (0.43) IDH1PIK3CAALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380571-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS INC (US) 2021-12-09 US disclosed
EP-3571193-B1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS INC (US) 2021-12-01 EP disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-10717728-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-07-21 US disclosed
US-20190352293-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-11-21 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
US-10351553-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2019-07-16 US disclosed
US-20180215746-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2018-08-02 US disclosed
WO-2018136917-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. (US) 2018-07-26 WO disclosed
US-9975886-B1 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2018-05-22 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 (7 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 RAF1 470/4885IDH1 3017/4885PIK3CD 897/4885
US-20210380571-A1 POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK10, KCNJ1 RAF1 765/4885IDH1 2868/4885PIK3CD 1440/4885
US-10717728-B2 Potassium channel modulators KCNJ2, KCNQ2, KCNJ1 RAF1 641/4885IDH1 2691/4885PIK3CD 986/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 RAF1 470/4885IDH1 3017/4885PIK3CD 897/4885
US-20190352293-A1 POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK10, KCNJ1 RAF1 765/4885IDH1 2868/4885PIK3CD 1440/4885
US-20180215746-A1 POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK10, KCNJ1 RAF1 765/4885IDH1 2868/4885PIK3CD 1440/4885
US-10351553-B2 Potassium channel modulators KCNN2, KCNN1, KCNN3 RAF1 521/4885IDH1 3070/4885PIK3CD 866/4885

“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.