SCHEMBL989816

SCHEMBL989816

O=C(Nc1ccccc1Cl)c1nc2c(s1)CCOc1cc(Br)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
KMT2A Q03164 4/20 0.40
PIK3CA P42336 3/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
GPR35 Q9HC97 1/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
MEN1 O00255 2/20 0.37
EPHB3 P54753 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
MAP3K14 Q99558 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
CHEK1 O14757 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 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
SCHEMBL1485031 0.81 MAP3K14 (0.43) PIK3CAMAP3K14PIK3CDPIK3R1
SCHEMBL990001 0.79 MAP3K14 (0.44) PIK3CAMAP3K14PIK3CDPIK3R1
SCHEMBL1484703 0.78 MAP3K14 (0.55) PIK3CAMAP3K14PIK3CDPIK3R1
SCHEMBL4120294 0.78 MAP3K14 (0.43) PIK3CAMAP3K14PIK3CDPIK3R1
SCHEMBL989472 0.77 PIK3CA (0.52) KMT2APIK3CANPC1RAB9AMEN1
SCHEMBL1484771 0.77 PIK3CA (0.46) PIK3CANPC1RAB9AMAP3K14PIK3CD
SCHEMBL12317171 0.76 PIK3CA (0.43) PIK3CAMAP3K14PIK3CDPIK3R1
SCHEMBL988065 0.76 THRB (0.42) THRBKMT2ANPC1RAB9AMEN1
SCHEMBL4120297 0.75 PIK3CA (0.41) PIK3CAMAP3K14PIK3CDPIK3R1
SCHEMBL1619624 0.74 MAP3K14 (0.50) MAP3K14PIK3CDPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-06-02 US disclosed
US-7928248-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2011-04-19 US disclosed
EP-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP 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-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD THRB 1580/4885KMT2A 4248/4885PIK3CA 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.