SCHEMBL4144672

SCHEMBL4144672

COc1ccc2c(c1)CN(CCN(C)C)C(=O)Cn1c-2c([C@@H]2CCCC[C@H]2F)c2ccc(C(=O)O)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
NR1I2 O75469 5/20 0.36
KCNH2 Q12809 7/20 0.35
CYP3A4 P08684 3/20 0.35
SCN5A Q14524 2/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CSNK2A1 P68400 1/20 0.33
ESR1 P03372 1/20 0.33
AKR1C3 P42330 2/20 0.33
CACNA1S Q13698 1/20 0.33

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
SCHEMBL4144670 1.00 PRKCA (0.38) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL4145785 0.90 PRKCA (0.39) PRKCAMMP12CSNK2A1
SCHEMBL4145782 0.90 PRKCA (0.39) PRKCAMMP12CSNK2A1
SCHEMBL894723 0.90 PRKCA (0.48) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL4148439 0.89 PRKCA (0.45) PRKCAMMP12NR1I2CSNK2A1
SCHEMBL4148436 0.89 PRKCA (0.45) PRKCAMMP12NR1I2CSNK2A1
SCHEMBL4144340 0.88 PRKCA (0.37) PRKCAMMP12CSNK2A1
SCHEMBL4144335 0.88 PRKCA (0.37) PRKCAMMP12CSNK2A1
SCHEMBL4152682 0.88 PRKCA (0.39) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL4149639 0.88 PRKCA (0.39) PRKCAMMP12NR1I2KCNH2CYP3A4

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-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-05-28 US claimed

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-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 PRKCA 4320/4885MMP12 3563/4885NR1I2 268/4885

“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.