SCHEMBL171964

SCHEMBL171964

COc1ccc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)NC(C)C)sc3C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.47
GCK P35557 3/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
NTRK1 P04629 1/20 0.42
PRKDC P78527 1/20 0.42

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
SCHEMBL799282 0.88 PIK3CG (0.47) PIK3CGGCKALDH1A1LMNANPC1
SCHEMBL172045 0.87 PIK3CG (0.54) PIK3CGGCKALDH1A1LMNANPC1
SCHEMBL799225 0.87 PIK3CG (0.49) PIK3CGGCKALDH1A1LMNANPC1
SCHEMBL798644 0.86 PIK3CG (0.66) PIK3CGGCKLMNANPC1RAB9A
SCHEMBL798672 0.86 PIK3CG (0.44) PIK3CGGCKALDH1A1LMNANPC1
SCHEMBL798914 0.86 PIK3CG (0.51) PIK3CGGCKALDH1A1LMNANPC1
SCHEMBL799274 0.86 PIK3CG (0.53) PIK3CGALDH1A1LMNANPC1RAB9A
SCHEMBL169977 0.84 PIK3CG (0.66) PIK3CGLMNANPC1RAB9AMEN1
SCHEMBL805072 0.84 LMNA (0.44) PIK3CGGCKALDH1A1LMNAMEN1
SCHEMBL799051 0.84 PIK3CG (0.47) PIK3CGGCKLMNANPC1RAB9A

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 PIK3CG 16/4885GCK 786/4885ALDH1A1 3750/4885

“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.