Sugi Predict

Sugi Predict / Compounds / SCHEMBL8538136

SCHEMBL8538136

SCHEMBL8538136

COc1nc(N)nc(N2CCOc3ccc(-c4cnc5sc(N)nc5c4)cc3C2)c1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.35
▸ FTO Q9C0B1 2/20 0.35
▸ GAK O14976 7/20 0.34
▸ KIT P10721 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ GPR142 Q7Z601 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ ALKBH5 Q6P6C2 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIP5K1C O60331 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ CD274 Q9NZQ7 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
SCHEMBL15406939 0.90 PIK3CA (0.37) PIK3CAFTOPRKDCHRH4PIK3CD
SCHEMBL8538083 0.90 PIK3CA (0.39) PIK3CAGAKKITPRKDCGPR142
Ammonia Solution, Strong SCHEMBL15406028 0.89 PIK3CA (0.38) PIK3CAGAKKITPRKDCGPR142
SCHEMBL8513123 0.89 PIK3CA (0.38) PIK3CAPRKDCGPR142HRH4PIK3CD
SCHEMBL16476899 0.87 PIK3CA (0.31) PIK3CAPIK3CDMTOR
SCHEMBL15408495 0.87 PIK3CA (0.35) PIK3CAPRKDCGPR142PIK3CDPIK3CB
SCHEMBL15408313 0.86 PIK3CA (0.37) PIK3CAFTOKITPRKDCPIK3CD
SCHEMBL8533677 0.84 PIK3CA (0.37) PIK3CAPRKDCGPR142PIK3CDPIK3CB
SCHEMBL8536421 0.84 NUDT1 (0.42) PIK3CAPRKDCGPR142PIK3CDPIK3CB
SCHEMBL8515478 0.84 PIK3CA (0.34) PIK3CAFTOPRKDCGPR142PIK3CD

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 135/4885FTO 2602/4885GAK 1299/4885

“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.