SCHEMBL857084

SCHEMBL857084

Cc1ncnc(N2CCOc3ccc(-c4ccc(C(=O)NCC(F)F)cc4)cc3C2)c1Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 3/20 0.41
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
NAMPT P43490 1/20 0.35
PIK3CA P42336 4/20 0.35
AKT1 P31749 3/20 0.34
CREBBP Q92793 1/20 0.34
AKT1S1 Q96B36 1/20 0.34
HTR2C P28335 1/20 0.34
MCHR1 Q99705 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
RIPK1 Q13546 1/20 0.34
EGFR P00533 1/20 0.34
ERBB3 P21860 1/20 0.34
RAB9A P51151 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
SCHEMBL858885 0.91 GPR142 (0.42) GPR142LMNAALDH1A1THRBPIK3CA
SCHEMBL3806500 0.91 ALDH1A1 (0.41) GPR142LMNAALDH1A1THRBNAMPT
Hydrochloric Acid SCHEMBL3754891 0.90 GPR142 (0.41) GPR142LMNAALDH1A1THRBPIK3CA
SCHEMBL3811900 0.90 ULK1 (0.40) GPR142LMNAALDH1A1THRBNAMPT
Hydrochloric Acid SCHEMBL3801651 0.90 ALDH1A1 (0.40) GPR142LMNAALDH1A1THRBNAMPT
SCHEMBL856409 0.89 GPR142 (0.41) GPR142PIK3CACREBBPRIPK1
SCHEMBL856829 0.88 GPR142 (0.41) GPR142PIK3CACREBBPRIPK1
SCHEMBL3805766 0.88 GPR142 (0.38) GPR142PIK3CARIPK1EGFRERBB3
SCHEMBL856044 0.88 HTR2A (0.41) GPR142MCHR1
SCHEMBL858637 0.87 GPR142 (0.41) GPR142PIK3CACREBBPRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US claimed
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-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 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
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 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-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
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 GPR142 1660/4885MAPT 1278/4885LMNA 2593/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA GPR142 2004/4885MAPT 1639/4885LMNA 2157/4885

“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.