Sugi Predict

Sugi Predict / Compounds / SCHEMBL8534107

SCHEMBL8534107

SCHEMBL8534107

N#Cc1cnc(N)nc1N1CCOc2ccc(-c3cnc4sc(N)nc4c3)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.36
▸ GPR142 Q7Z601 2/20 0.34
▸ MTOR P42345 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL15408313 0.87 PIK3CA (0.37) PIK3CAMTORRAB9ASMN1; SMN2MAPT
SCHEMBL8515798 0.87 GPR142 (0.37) PIK3CAGPR142MTORRAB9ASMN1; SMN2
SCHEMBL8510282 0.87 PIK3CA (0.36) PIK3CAGPR142MTORRAB9ASMN1; SMN2
SCHEMBL15408309 0.86 PIK3CA (0.36) PIK3CAGPR142MTORKDM4EHRH4
SCHEMBL8510993 0.86 PIK3CA (0.36) PIK3CAMTORRAB9ASMN1; SMN2MAPT
SCHEMBL16476924 0.85 PIK3CA (0.31) PIK3CAMTORKMT2APIK3CG
SCHEMBL15407773 0.85 PIK3CA (0.36) PIK3CAMTORRAB9ASMN1; SMN2MAPT
SCHEMBL8511448 0.85 PIK3CA (0.36) PIK3CAMTORRAB9ASMN1; SMN2NPC1
SCHEMBL15406029 0.85 PIK3CA (0.38) PIK3CAMTORPIK3CGPRKDC
SCHEMBL8512265 0.84 PIK3CA (0.35) PIK3CAMTORGAARAB9ASMN1; SMN2

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-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 — — US claimed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 — — US disclosed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 — — US disclosed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 — — US disclosed
EP-2643327-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-10-02 — — EP disclosed
WO-2012071511-A1 BENZOXAZEPINES AS INHIBITORS OF 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 (1 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-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RICTOR, RPTOR PIK3CA 135/4885GPR142 2234/4885MTOR 1/4885

“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.