SCHEMBL19686846

SCHEMBL19686846

CC(C)(C)OC(=O)N(c1cc(N2CCOCC2)nc(C(N)=S)n1)C1CCC(F)(F)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 4/20 0.34
ATRIP Q8WXE1 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
PIK3R1 P27986 5/20 0.32
PIK3CA P42336 4/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
ALOX12 P18054 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PIK3CB P42338 1/20 0.31
IKBKB O14920 1/20 0.31
PDPK1 O15530 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3C2B O00750 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL21143805 0.87 PIK3CB (0.33) ATRALDH1A1KDM4EHPGDPIK3CA
SCHEMBL31127163 0.85 MAPT (0.34) ATRALDH1A1KDM4EPIK3CANPSR1
SCHEMBL19686800 0.84 KMT2A (0.41) ATRATRIPGPR119ALDH1A1KDM4E
SCHEMBL19686799 0.84 RAF1 (0.38) ATRATRIPGPR119PIK3CAPIK3CD
SCHEMBL19687233 0.84 GPR119 (0.44) ATRATRIPGPR119PIK3CAPIK3CB
SCHEMBL19687466 0.80 PIK3R2 (0.32) ATRGPR119PIK3CD
SCHEMBL21144017 0.79 P2RX3 (0.36)
SCHEMBL21166046 0.79 IDH1 (0.40) GPR119NPSR1
SCHEMBL19686895 0.79 ATR (0.33) ATRGPR119PIK3R1PIK3CAPIK3CB
SCHEMBL19687237 0.79 GPR119 (0.33) ATRGPR119PIK3R1PIK3CAPIK3CD

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 3 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
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO 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 ATR 4491/4885ATRIP 3455/4885GPR119 236/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ATR 4491/4885ATRIP 3455/4885GPR119 236/4885

“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.