SCHEMBL856156

SCHEMBL856156

Oc1cc(Nc2ccccc2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54
CYP1A2 P05177 5/20 0.53
CYP2C19 P33261 4/20 0.53
CYP2D6 P10635 4/20 0.53
CLK4 Q9HAZ1 4/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 3/20 0.53
TSHR P16473 3/20 0.53
MAPK1 P28482 2/20 0.53
USP2 O75604 2/20 0.50
EGFR P00533 2/20 0.50
ERBB3 P21860 2/20 0.50
TNNI3K Q59H18 1/20 0.48
CYP2C9 P11712 2/20 0.47
PDGFRB P09619 1/20 0.46

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
SCHEMBL414719 0.86 MEN1 (0.70) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL3431925 0.78 CDK1 (0.60) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL27322736 0.77 CFD (0.47) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL19420148 0.77 THRB (0.70) MAPTTSHREGFRTNNI3KKDM4E
SCHEMBL857502 0.77 NPC1 (0.63) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL18559680 0.77 MEN1 (0.56) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL25387375 0.77 KMO (0.54) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL3226900 0.77 KMO (0.66) MEN1KMT2ARAB9ANPC1TP53
Hydrochloric Acid SCHEMBL2176643 0.76 NPC1 (0.61) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL2305280 0.76 TP53 (0.74) MEN1KMT2ARAB9ANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877481-B1 STABILISER COMPOSITION FOR HALIDE-CONTAINING POLYMERS SUN ACE KAKOH PTE LTD (SG) 2016-02-17 EP disclosed
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
CN-103459384-A Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS INC 2013-12-18 CN 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
CN-101203556-B Stabiliser composition for chlorine-containing polymers SUN ACE KAKOH PTE LTD 2012-06-27 CN 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
CN-102459249-A Benzoxazepines based p13k/mt0r inhibitors against proliferative diseases EXELIXIS INC 2012-05-16 CN disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-7842743-B2 Stabiliser composition for halide-containing polymers SUN ACE KAKOH (PTE.) LTD. (SG) 2010-11-30 US 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
US-20090030123-A1 STABILISER COMPOSITION FOR HALIDE-CONTAINING POLYMERS SUN ACE KAKOH (PTE.) LTD. (SG) 2009-01-29 US disclosed
CN-101203556-A Stabiliser composition for chlorine-containing polymers SUN ACE KAKOH PTE LTD (SG) 2008-06-18 CN disclosed
EP-1877481-A2 STABILISER COMPOSITION FOR HALIDE-CONTAINING POLYMERS Sun Ace Kakoh (Pte.) Ltd. (SG) 2008-01-16 EP disclosed
WO-2006110112-A2 STABILISER COMPOSITION FOR HALIDE-CONTAINING POLYMERS SUN ACE KAKOH (PTE.) LTD. (SG) 2006-10-19 WO disclosed
WO-2006110106-A1 STABILISER COMPOSITION FOR CHLORINE-CONTAINING POLYMERS SUN ACE KAKOK (PTE.) LTD. (SG) 2006-10-19 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 MEN1 3183/4885KMT2A 2645/4885RAB9A 1023/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA MEN1 2920/4885KMT2A 2282/4885RAB9A 720/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA MEN1 3264/4885KMT2A 3064/4885RAB9A 1064/4885

“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.