Sugi Predict

Sugi Predict / Compounds / SCHEMBL9612499

SCHEMBL9612499

SCHEMBL9612499

Cc1nc2ccc(-c3cc(C)c4c(c3)CN(C(=O)N3CCOCC3)CCO4)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 9/20 0.53
▸ FGFR1 P11362 3/20 0.40
▸ FGFR2 P21802 3/20 0.40
▸ FGFR3 P22607 3/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ DHODH Q02127 1/20 0.36

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
SCHEMBL9612538 0.94 PIK3CA (0.53) PIK3CANPC1RAB9ASMN1; SMN2PIK3CG
SCHEMBL9612539 0.94 PIK3CA (0.53) PIK3CANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9612534 0.94 PIK3CA (0.53) PIK3CANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15433948 0.94 PIK3CA (0.53) PIK3CANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9612757 0.91 PIK3CA (0.51) PIK3CAFGFR1FGFR2FGFR3PIK3CG
SCHEMBL9612736 0.91 PIK3CA (0.49) PIK3CAFGFR1FGFR2FGFR3RAB9A
SCHEMBL9612504 0.90 PIK3CA (0.50) PIK3CAFGFR1FGFR2FGFR3PIK3CG
SCHEMBL9612610 0.90 PIK3CA (0.52) PIK3CAFGFR1FGFR2FGFR3NPC1
SCHEMBL9612732 0.90 PIK3CA (0.50) PIK3CAFGFR1FGFR2FGFR3PIK3CG
SCHEMBL9612614 0.90 PIK3CA (0.51) PIK3CAFGFR1FGFR2FGFR3PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 — — US disclosed
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 — — US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 — — US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 — — US disclosed
WO-2012071509-A2 BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-31 — — 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-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885FGFR1 1308/4885FGFR2 1495/4885
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885FGFR1 1308/4885FGFR2 1495/4885

“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.