SCHEMBL3755187

SCHEMBL3755187

CCc1c(C(=O)N2CCOc3ccc(-c4csc(N)n4)cc3C2)ccc(S(C)(=O)=O)c1F

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.59
PIK3CA P42336 12/20 0.55
MAPT P10636 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RIPK1 Q13546 1/20 0.39
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GFER P55789 1/20 0.37
GPR142 Q7Z601 1/20 0.37
CREBBP Q92793 1/20 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
SCHEMBL3756515 0.97 PRKDC (0.59) PRKDCPIK3CAMAPTRAB9ASMN1; SMN2
SCHEMBL3755744 0.87 PRKDC (0.64) PRKDCPIK3CARIPK1GPR142CREBBP
SCHEMBL3758081 0.87 PRKDC (0.59) PRKDCPIK3CARIPK1CREBBP
SCHEMBL3757850 0.86 PRKDC (0.52) PRKDCPIK3CAMAPTRAB9ASMN1; SMN2
SCHEMBL3754740 0.86 PRKDC (0.67) PRKDCPIK3CARIPK1CREBBP
SCHEMBL3752516 0.86 PRKDC (0.59) PRKDCPIK3CARIPK1GPR142CREBBP
SCHEMBL3752371 0.86 PRKDC (0.67) PRKDCPIK3CARIPK1GPR142
SCHEMBL3754404 0.86 PRKDC (0.58) PRKDCPIK3CARIPK1
SCHEMBL3756255 0.86 PRKDC (0.64) PRKDCPIK3CARIPK1GPR142CREBBP
SCHEMBL3754427 0.86 PRKDC (0.64) PRKDCPIK3CARIPK1CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR PRKDC 480/4885PIK3CA 16/4885MAPT 1172/4885

“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.