SCHEMBL7866935

SCHEMBL7866935

Cc1nc2cc(-c3ccc4c(c3)CN(C(=O)c3cc(F)c(Cl)cc3Cl)CCC4)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.43
GPR142 Q7Z601 1/20 0.39
HPGD P15428 2/20 0.38
ABCB1 P08183 7/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BTK Q06187 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP9 P14780 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL7865287 0.96 HPGD (0.43) PIK3CAGPR142HPGDABCB1SMN1; SMN2
SCHEMBL7867802 0.95 PIK3CA (0.41) PIK3CAGPR142HPGDABCB1BTK
SCHEMBL3757856 0.86 PIK3CA (0.59) PIK3CAGPR142
SCHEMBL7871221 0.86 HSD11B1 (0.40) PIK3CAGPR142HPGDABCB1HTT
SCHEMBL7869391 0.85 ABCB1 (0.41) PIK3CAHPGDABCB1HTTHRH4
SCHEMBL7870080 0.83 GPR142 (0.47) PIK3CAGPR142HPGDABCB1BTK
SCHEMBL7868242 0.83 PIK3CA (0.47) PIK3CAABCB1KDM4E
SCHEMBL7866556 0.83 SPR (0.44) PIK3CAABCB1MMP9HRH4
SCHEMBL7871184 0.83 HTT (0.49) PIK3CAHPGDABCB1KDM4EHTT
SCHEMBL7867794 0.83 PIK3CA (0.40) PIK3CAGPR142ABCB1HRH4

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-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 PIK3CA 16/4885GPR142 4122/4885HPGD 1748/4885

“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.