SCHEMBL2068515

SCHEMBL2068515

Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(Cc2ccccc2)C(=O)O)C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.57
PABPC1 P11940 1/20 0.40
KMT2A Q03164 4/20 0.36
CYP3A4 P08684 1/20 0.36
P2RX7 Q99572 1/20 0.35
MEN1 O00255 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
MAPK1 P28482 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
SCHEMBL18136313 0.91 KCNH2 (0.58) KCNH2PABPC1KMT2AP2RX7CTSS
SCHEMBL18136314 0.88 KCNH2 (0.55) KCNH2PABPC1KMT2AP2RX7MEN1
SCHEMBL1048233 0.84 KCNH2 (0.55) KCNH2PABPC1P2RX7
SCHEMBL18136315 0.84 KCNH2 (0.51) KCNH2PABPC1KMT2ACYP3A4CTSS
SCHEMBL1052038 0.84 KCNH2 (0.62) KCNH2PABPC1KMT2ACYP3A4MEN1
SCHEMBL1052236 0.83 KCNH2 (0.54) KCNH2PABPC1P2RX7
SCHEMBL17636391 0.83 KCNH2 (0.65) KCNH2CYP3A4
SCHEMBL2068503 0.83 KCNH2 (0.57) KCNH2PABPC1KMT2ACYP3A4P2RX7
SCHEMBL3769436 0.83 KCNH2 (0.60) KCNH2PABPC1KMT2ACYP3A4MEN1
SCHEMBL2068435 0.82 KCNH2 (0.67) KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-03-10 US claimed
US-9469645-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-10-18 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-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES SQLE, SGMS2, FDPS KCNH2 2202/4885PABPC1 4541/4885KMT2A 2660/4885

“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.