SCHEMBL14123789

SCHEMBL14123789

COc1ccc(Cl)c(Nc2nc3ccccc3nc2CS(=O)(=O)c2cccc(C(=O)NCCN3CCCC3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.47
CCR3 P51677 1/20 0.46
MAPT P10636 2/20 0.45
DRD2 P14416 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PIK3CD O00329 2/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PRKDC P78527 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
PMP22 Q01453 1/20 0.44
CCR2 P41597 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.43

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
SCHEMBL188873 0.88 PIK3CG (0.57) DRD4CCR3PIK3CDPIK3CAPIK3CB
SCHEMBL188756 0.88 PIK3CG (0.57) DRD4CCR3MAPTSMN1; SMN2ALDH1A1
SCHEMBL188736 0.84 PIK3CD (0.58) DRD4DRD2PIK3CDPIK3CAPIK3CB
SCHEMBL189228 0.82 GAA (0.57) DRD4SMN1; SMN2ALDH1A1PIK3CDPIK3CA
SCHEMBL189679 0.78 GAA (0.63) DRD4MAPTDRD2SMN1; SMN2ALDH1A1
SCHEMBL189397 0.77 PIK3CG (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL189516 0.77 PIK3CG (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL189170 0.77 PIK3CG (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL189069 0.76 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL187815 0.76 PIK3CG (0.64) MAPTPIK3CDPIK3CAPIK3CBPIK3CG

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-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 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-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 DRD4 4387/4885CCR3 2809/4885MAPT 4606/4885

“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.