SCHEMBL875449

SCHEMBL875449

CC(C)(C)CC(=O)Nc1c(Cl)nc2c(C(F)(F)F)cccn2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
KCNQ3 O43525 4/20 0.40
KCNQ2 O43526 4/20 0.40
RXFP1 Q9HBX9 2/20 0.37
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ECE1 P42892 1/20 0.36
USP7 Q93009 1/20 0.35
CSNK1D P48730 1/20 0.35

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
SCHEMBL875494 0.86 KDM4E (0.50) HPGDGAAMAPTTP53KCNQ2
SCHEMBL876309 0.85 KCNQ2 (0.36) SMN1; SMN2MAPTTP53KCNQ3KCNQ2
SCHEMBL883428 0.84 SMN1; SMN2 (0.40) SMN1; SMN2CYP1A2CYP2C9HPGDCYP3A4
SCHEMBL876306 0.84 SMN1; SMN2 (0.40) SMN1; SMN2CYP1A2CYP2C9HPGDCYP3A4
SCHEMBL883352 0.81 KCNQ3 (0.37) SMN1; SMN2CYP1A2CYP2C9HPGDCYP3A4
SCHEMBL883703 0.69 LMNA (0.44) SMN1; SMN2HPGDGAAMAPTTP53
SCHEMBL883609 0.69 KCNQ2 (0.35) KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL15106118 0.69 KCNQ2 (0.36) SMN1; SMN2MAPTKCNQ3KCNQ2POLB
SCHEMBL875869 0.68 USP7 (0.38) SMN1; SMN2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL10074404 0.67 KDM4E (0.49) SMN1; SMN2HPGDGAAMAPTTP53

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
EP-2619202-A1 PYRIDMIDONES FOR TREATMENT OF POTASSIUM CHANNEL RELATED DISEASES Pfizer Inc (US) 2013-07-31 EP disclosed
US-20130184294-A1 Pyrimidones for Treatment of Potassium Channel Related Diseases PFIZER INC. (US) 2013-07-18 US disclosed
WO-2012038850-A1 PYRIDMIDONES FOR TREATMENT OF POTASSIUM CHANNEL RELATED DISEASES PFIZER INC. (US) 2012-03-29 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 (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-20130184294-A1 Pyrimidones for Treatment of Potassium Channel Related Diseases KCNQ5, KCNQ1, KCNQ3 SMN1; SMN2 912/4885CYP1A2 916/4885CYP2C9 921/4885

“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.