SCHEMBL115676

SCHEMBL115676

COc1ncc(I)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.41
KDR P35968 2/20 0.41
AURKB Q96GD4 2/20 0.41
PIK3CA P42336 3/20 0.34
PIK3R1 P27986 1/20 0.34
CFTR P13569 4/20 0.34
ULK1 O75385 1/20 0.33
CYP11B2 P19099 3/20 0.33
CYP11B1 P15538 2/20 0.33
SLC22A12 Q96S37 1/20 0.31
PIK3CD O00329 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
NFE2L2 Q16236 1/20 0.31
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL5942469 0.79 AURKA (0.42) AURKAKDRAURKBPIK3CAPIK3R1
SCHEMBL9948834 0.78 ALOX5AP (0.32)
SCHEMBL116558 0.78 PIK3CA (0.41) AURKAKDRAURKBPIK3CAPIK3R1
SCHEMBL30851250 0.78 AURKA (0.41) AURKAKDRAURKBPIK3CAPIK3R1
SCHEMBL30851311 0.78 SSTR4 (0.42) AURKAKDRAURKBPIK3CAPIK3R1
SCHEMBL24968411 0.78 AURKA (0.41) AURKAKDRAURKBPIK3CAPIK3R1
SCHEMBL322071 0.78 SSTR4 (0.42) AURKAKDRAURKBPIK3CAPIK3R1
SCHEMBL24656388 0.76 PIK3R1 (0.41) AURKAKDRAURKBPIK3CAPIK3R1
SCHEMBL21031170 0.75 AURKA (0.40) AURKAKDRAURKBPIK3CAPIK3R1
SCHEMBL19706705 0.75 AURKA (0.40) AURKAKDRAURKBPIK3CAPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117534672-A New preparation method of APDS (active pharmaceutical ingredient) therapeutic drug 北京康立生医药技术开发有限公司 2024-02-09 CN disclosed
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
US-20110319426-A1 Substituted Isoindoles ASTRAZENECA AB (SE) 2011-12-29 US disclosed
US-8030500-B2 Substituted isoindoles for the treatment and/or prevention of Aβ- related pathologies ASTRAZENECA AB (SE) 2011-10-04 US disclosed
EP-2367814-A1 NEW COMPOUNDS 578 AstraZeneca AB (SE) 2011-09-28 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
WO-2010056196-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125082-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 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 (4 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD AURKA 765/4885KDR 1268/4885AURKB 638/4885
US-20100125082-A1 NEW COMPOUNDS 578 PSEN1, PSEN2, BACE1 AURKA 1233/4885KDR 957/4885AURKB 466/4885
US-20110319426-A1 Substituted Isoindoles PSEN2, PSEN1, SNCA AURKA 1690/4885KDR 727/4885AURKB 810/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD AURKA 765/4885KDR 1268/4885AURKB 638/4885

“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.