SCHEMBL858540

SCHEMBL858540

CCN1CCc2[c]ncnc2C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.36
RECQL P46063 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
PNMT P11086 1/20 0.33
GRM5 P41594 1/20 0.32
CHRM3 P20309 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL857916 0.78 KMT2A (0.47) HRH3PNMT
SCHEMBL8877237 0.69 PNMT (0.36) RAD52RECQLHRH3PNMTGRM5
SCHEMBL6370338 0.69 PNMT (0.40) RAD52RECQLHRH3PNMTGRM5
SCHEMBL8369140 0.68 RAD52 (0.45) RAD52RECQLHRH3PNMTGRM5
SCHEMBL4989502 0.68 RAD52 (0.42) RAD52RECQLHRH3PNMTCYP3A4
SCHEMBL6369619 0.67 LMNA (0.41) RAD52RECQLHRH3PNMTGRM5
SCHEMBL4989498 0.65 MAPT (0.39) RAD52RECQLGRM5CYP3A4TSHR
SCHEMBL18317775 0.63 RAD52 (0.34) RAD52RECQLPNMTCHRM3
SCHEMBL1427663 0.63 DRD2 (0.58) RAD52RECQLHRH3PNMTGRM5
SCHEMBL12788182 0.63 HRH3 (0.39) RAD52RECQLHRH3PNMTGRM5

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 6 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-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 RAD52 4385/4885RECQL 4072/4885HRH3 591/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA RAD52 4422/4885RECQL 4092/4885HRH3 806/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA RAD52 3944/4885RECQL 3390/4885HRH3 482/4885

“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.