SCHEMBL15313630

SCHEMBL15313630

Cc1ccc(-c2nc3n(c2Nc2ccc(Cl)cc2)CCN(C(=O)CN)C3(C)C)cc1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.85
CYP3A4 P08684 1/20 0.76
TP53 P04637 4/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CNR1 P21554 2/20 0.36
LMNA P02545 1/20 0.36
ALOX5 P09917 1/20 0.36
EPHX2 P34913 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
SCHEMBL30718360 0.92 KCNH2 (1.00) KCNH2CYP3A4TP53MAPTGAA
SCHEMBL1049907 0.92 KCNH2 (1.00) KCNH2CYP3A4TP53MAPTGAA
SCHEMBL15313628 0.91 KCNH2 (0.93) KCNH2CYP3A4TP53MAPTGAA
SCHEMBL1050138 0.91 KCNH2 (0.93) KCNH2CYP3A4TP53MAPTGAA
Ganaplacide SCHEMBL1047381 0.87 KCNH2 (1.00) KCNH2CYP3A4PTGDR2
SCHEMBL15750769 0.85 KCNH2 (0.81) KCNH2CYP3A4TP53
SCHEMBL30718355 0.84 KCNH2 (0.85) KCNH2CYP3A4PTGDR2CNR1
SCHEMBL1000968 0.83 KCNH2 (0.84) KCNH2CYP3A4TP53MAPTLMNA
SCHEMBL1051633 0.83 KCNH2 (0.82) KCNH2CYP3A4MAPTCNR1
SCHEMBL30718420 0.83 KCNH2 (0.84) KCNH2CYP3A4TP53MAPT

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-9469645-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-10-18 US disclosed
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2013-10-24 US disclosed
US-8557801-B2 Compounds and compositions useful for the treatment of parasitic diseases IRM LLC (BM) 2013-10-15 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-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES SQLE, ABCB1, FDPS KCNH2 1679/4885CYP3A4 97/4885TP53 4077/4885

“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.