SCHEMBL857211

SCHEMBL857211

CCn1ccc2cc(Br)cnc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.43
FGFR4 P22455 2/20 0.43
ENPP3 O14638 4/20 0.40
ENPP1 P22413 3/20 0.40
HSD17B10 Q99714 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
CYP19A1 P11511 2/20 0.35
GLO1 Q04760 2/20 0.34
HDAC8 Q9BY41 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
GBA1 P04062 1/20 0.33

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
SCHEMBL17253141 0.82 FGFR1 (0.43) FGFR1FGFR4ENPP3ENPP1HSD17B10
SCHEMBL20873242 0.82 GLO1 (0.49) FGFR1FGFR4ENPP3ENPP1HSD17B10
SCHEMBL21704227 0.81 CCR1 (0.42) HTR2AHTR2CCYP19A1GLO1KDM4E
SCHEMBL31126947 0.80 FGFR1 (0.44) FGFR1FGFR4ENPP3ENPP1HSD17B10
SCHEMBL20985874 0.80 FGFR1 (0.42) FGFR1FGFR4ENPP3ENPP1HSD17B10
SCHEMBL23938044 0.79 GLO1 (0.34) GLO1KDM4EMEN1MAPTKMT2A
SCHEMBL20731183 0.79 CDK1 (0.36) GLO1KDM4EMEN1MAPTKMT2A
SCHEMBL24824870 0.79 HTR2C (0.36) FGFR1FGFR4HTR2AHTR2CCYP19A1
SCHEMBL31219317 0.79 CDK1 (0.36) GLO1KDM4EMEN1MAPTKMT2A
SCHEMBL28055645 0.79 GLO1 (0.37) GLO1KDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 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 (3 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA FGFR1 1308/4885FGFR4 1679/4885ENPP3 3850/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA FGFR1 1233/4885FGFR4 1351/4885ENPP3 4192/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA FGFR1 1001/4885FGFR4 1358/4885ENPP3 3806/4885

“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.