SCHEMBL7870080

SCHEMBL7870080

Cc1nc2cc(-c3ccc4c(c3)CN(C(=O)c3ccc(Cl)c(Cl)c3)CCC4)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 2/20 0.47
PIK3CA P42336 1/20 0.45
HPGD P15428 1/20 0.44
PGR P06401 5/20 0.42
MGLL Q99685 2/20 0.39
NFE2L2 Q16236 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PRSS12 P56730 1/20 0.38
JAK2 O60674 1/20 0.38
BTK Q06187 1/20 0.38
HSD11B1 P28845 1/20 0.38
PKM P14618 2/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL7865291 0.91 PKM (0.45) PIK3CAHPGDPKMABCB1
SCHEMBL7868232 0.90 PIK3CA (0.47) PIK3CAHPGDHDAC6HSD11B1PKM
SCHEMBL7864958 0.89 PIK3CA (0.49) PIK3CAPGRHDAC6HSD11B1PKM
SCHEMBL7867035 0.88 MAPT (0.43) GPR142PIK3CAHPGDPGRMGLL
SCHEMBL7868233 0.87 PIK3CA (0.45) PIK3CAHPGDHDAC6HSD11B1PKM
SCHEMBL7868242 0.87 PIK3CA (0.47) PIK3CAHDAC6HSD11B1PKMABCB1
SCHEMBL7866569 0.86 GHSR (0.48) PIK3CA
SCHEMBL7860217 0.86 PIK3CA (0.44) PIK3CAHPGDMGLLHDAC6HSD11B1
SCHEMBL7864356 0.86 PKM (0.47) PIK3CAPKMABCB1
SCHEMBL7871187 0.85 PIK3CA (0.47) PIK3CAHPGDHDAC6PKMABCB1

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 GPR142 4122/4885PIK3CA 16/4885HPGD 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.