SCHEMBL861293

SCHEMBL861293

COc1ccc2c(N3CCOc4ccc(-c5cnc(NC(C)=O)s5)cc4C3)nc(C)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.40
GPR142 Q7Z601 7/20 0.40
MOK Q9UQ07 2/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
LIMK1 P53667 2/20 0.37
LIMK2 P53671 2/20 0.37
TESK1 Q15569 1/20 0.37
TESK2 Q96S53 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
DYRK1A Q13627 1/20 0.37
OGA O60502 2/20 0.36
CREBBP Q92793 1/20 0.36
KCNQ1 P51787 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL13056737 0.87 ENPP1 (0.43) ENPP1GPR142MOKSMN1; SMN2CREBBP
SCHEMBL859567 0.86 MOK (0.49) ENPP1GPR142MOKSMN1; SMN2CREBBP
SCHEMBL858454 0.86 ENPP1 (0.40) ENPP1GPR142KDM4E
SCHEMBL856962 0.80 GPR142 (0.43) ENPP1GPR142RAB9ACREBBPKDM4E
SCHEMBL859328 0.80 TNIK (0.44) ENPP1GPR142KDM4E
SCHEMBL859157 0.80 GPR142 (0.45) ENPP1GPR142MOKCREBBP
SCHEMBL859031 0.79 CREBBP (0.45) ENPP1GPR142CREBBPKDM4E
SCHEMBL856601 0.79 HRH4 (0.45) ENPP1GPR142KDM4E
SCHEMBL857025 0.78 HRH4 (0.38) ENPP1GPR142CREBBPKDM4E
SCHEMBL3755141 0.78 HRH4 (0.47) ENPP1GPR142KDM4E

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 10 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
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 (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 ENPP1 3408/4885GPR142 1660/4885MOK 460/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA ENPP1 3308/4885GPR142 2004/4885MOK 383/4885

“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.