SCHEMBL26849014

SCHEMBL26849014

CCn1nc(-c2ccc(C(F)(F)F)nc2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.42
RAD51 Q06609 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIK3CA P42336 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
TRPV3 Q8NET8 6/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CNR1 P21554 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
CRHR1 P34998 1/20 0.38
SLC34A1 Q06495 3/20 0.37

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
SCHEMBL30567651 0.85 KCNH2 (0.46) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL25408338 0.85 KCNH2 (0.46) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL26849009 0.81 SLC34A1 (0.43) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL26847489 0.81 HDAC3 (0.39) CYP3A4CYP2C9CYP2C19LMNACRHR1
SCHEMBL26847563 0.76 JMJD6 (0.43)
SCHEMBL8322070 0.73 LMNA (0.55) CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL25406855 0.72 KCNH2 (0.48) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL30567672 0.72 KCNH2 (0.48) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL17247907 0.72 CYP2A6 (0.53) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL31663301 0.71 USP1 (0.34) KCNH2PIK3CATRPV3CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 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-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS SPPL2A, SPPL2B, BACE1 KCNH2 4708/4885RAD51 2735/4885MAP4K4 1430/4885

“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.