Sugi Predict

Sugi Predict / Compounds / SCHEMBL15433940

SCHEMBL15433940

SCHEMBL15433940

Cc1nc2ccc(-c3cc(C)c4c(c3)CN(C(=O)N3CC5CN(c6ccccc6)CC5C3)CCO4)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.46
▸ FGFR1 P11362 2/20 0.35
▸ FGFR2 P21802 2/20 0.35
▸ FGFR3 P22607 2/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CREBBP Q92793 3/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ HCRTR1 O43613 3/20 0.34
▸ HCRTR2 O43614 3/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33

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
SCHEMBL9612736 0.91 PIK3CA (0.49) PIK3CAFGFR1FGFR2FGFR3CHEK2
SCHEMBL2724988 0.90 PIK3CA (0.58) PIK3CACREBBP
SCHEMBL9612744 0.88 PIK3CA (0.49) PIK3CAFGFR1FGFR2FGFR3CREBBP
SCHEMBL9612468 0.87 PIK3CA (0.44) PIK3CAFGFR1FGFR2FGFR3CHEK2
SCHEMBL9612499 0.86 PIK3CA (0.53) PIK3CAFGFR1FGFR2FGFR3ALDH1A1
SCHEMBL9612704 0.85 PIK3CA (0.51) PIK3CAALDH1A1POLBHPGDRAB9A
SCHEMBL9612580 0.85 PIK3CA (0.46) PIK3CAALDH1A1POLBHPGDRAB9A
SCHEMBL15433955 0.85 PIK3CA (0.48) PIK3CAFGFR1FGFR2FGFR3CREBBP
SCHEMBL9612538 0.84 PIK3CA (0.53) PIK3CARAB9ASMN1; SMN2CREBBPPIK3CG
SCHEMBL9612583 0.84 PIK3CA (0.48) PIK3CAALDH1A1POLBHPGDRAB9A

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 4 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

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.