SCHEMBL15313628

SCHEMBL15313628

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

nearest known ligand 0.93

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.93
CYP3A4 P08684 1/20 0.93
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
TACR3 P29371 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 3/20 0.36
MAPT P10636 5/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1050138 1.00 KCNH2 (0.93) KCNH2CYP3A4CYP1A2CYP2C9TACR3
Ganaplacide SCHEMBL1047381 0.96 KCNH2 (1.00) KCNH2CYP3A4CYP1A2CYP2C9TACR3
SCHEMBL30718393 0.92 KCNH2 (0.91) KCNH2CYP3A4CYP1A2CYP2C9TACR3
SCHEMBL30718360 0.92 KCNH2 (1.00) KCNH2CYP3A4CYP1A2CYP2C9TACR3
SCHEMBL1051755 0.92 KCNH2 (0.84) KCNH2CYP3A4CYP1A2CYP2C9TACR3
SCHEMBL2068565 0.92 KCNH2 (0.91) KCNH2CYP3A4CYP1A2CYP2C9TACR3
SCHEMBL1049907 0.92 KCNH2 (1.00) KCNH2CYP3A4CYP1A2CYP2C9TACR3
SCHEMBL1051285 0.91 KCNH2 (0.89) KCNH2CYP3A4CYP1A2CYP2C9TACR3
SCHEMBL15313630 0.91 KCNH2 (0.85) KCNH2CYP3A4TP53MAPTGAA
SCHEMBL30718374 0.90 KCNH2 (0.88) KCNH2CYP3A4CYP1A2CYP2C9TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024006970-A2 ANTIMALARIAL COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE (US) 2024-01-04 WO claimed
WO-2024006971-A2 ANTIMALARIAL COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE (US) 2024-01-04 WO claimed
WO-2024006970-A2 ANTIMALARIAL COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE (US) 2024-01-04 WO disclosed
WO-2024006971-A2 ANTIMALARIAL COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE (US) 2024-01-04 WO disclosed
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 97/4885CYP1A2 79/4885

“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.