SCHEMBL1491622

SCHEMBL1491622

COc1ccc(P(C)(C)=O)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
GAA P10253 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
APP P05067 1/20 0.43
TUBB4A P04350 2/20 0.42

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
SCHEMBL1491772 0.85 ALDH1A1 (0.53) ALDH1A1CYP3A4L3MBTL1MEN1MAPT
Hydrochloric Acid SCHEMBL11900704 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4L3MBTL1MEN1MAPT
SCHEMBL29505096 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4L3MBTL1MEN1MAPT
SCHEMBL11042019 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4L3MBTL1MEN1MAPT
Hydrochloric Acid SCHEMBL17493635 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4L3MBTL1MEN1MAPT
SCHEMBL19175186 0.81 USP2 (0.42) ALDH1A1MEN1MAPTKMT2AHTT
SCHEMBL6118417 0.78 GAA (0.46) ALDH1A1CYP3A4L3MBTL1MEN1MAPT
SCHEMBL28724239 0.77 TDP1 (0.42) ALDH1A1CYP3A4L3MBTL1MEN1MAPT
SCHEMBL29450163 0.77 TDP1 (0.42) ALDH1A1CYP3A4L3MBTL1MEN1MAPT
SCHEMBL27812433 0.76 GAA (0.45) ALDH1A1CYP3A4L3MBTL1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 US disclosed
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 US disclosed
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 EP disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
EP-2300013-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD Pharmaceuticals, Inc (US) 2011-03-30 EP disclosed
WO-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 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 (9 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-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ALDH1A1 4707/4885CYP3A4 2859/4885L3MBTL1 4738/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALDH1A1 4677/4885CYP3A4 3229/4885L3MBTL1 4011/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALDH1A1 4769/4885CYP3A4 3428/4885L3MBTL1 4339/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 ALDH1A1 4596/4885CYP3A4 2850/4885L3MBTL1 4707/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 ALDH1A1 4769/4885CYP3A4 3428/4885L3MBTL1 4339/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALDH1A1 4677/4885CYP3A4 3229/4885L3MBTL1 4011/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ALDH1A1 4707/4885CYP3A4 2859/4885L3MBTL1 4738/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ALDH1A1 4707/4885CYP3A4 2859/4885L3MBTL1 4738/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALDH1A1 4677/4885CYP3A4 3229/4885L3MBTL1 4011/4885

“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.