SCHEMBL15219348

SCHEMBL15219348

Cc1ccc(NC(=O)c2ccc(P(C)(C)=O)cc2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 5/20 0.60
KCNQ2 O43526 5/20 0.60
P4HTM Q9NXG6 5/20 0.52
NAMPT P43490 2/20 0.49
KCNE1 P15382 2/20 0.49
KCNQ1 P51787 2/20 0.49
BACE1 P56817 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SORT1 Q99523 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MITF O75030 1/20 0.46
XBP1 P17861 1/20 0.46
PAX8 Q06710 1/20 0.46
KLF5 Q13887 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46

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
SCHEMBL4810074 0.85 KCNQ3 (0.63) KCNQ3KCNQ2P4HTMNAMPTKCNE1
SCHEMBL30354918 0.82 POLB (0.64) KCNQ3KCNQ2P4HTMNAMPTKCNE1
SCHEMBL21590155 0.82 KCNQ3 (0.63) KCNQ3KCNQ2P4HTMNAMPTKCNE1
SCHEMBL25433785 0.82 POLB (0.64) KCNQ3KCNQ2P4HTMNAMPTKCNE1
SCHEMBL11918959 0.82 P4HTM (0.47) KCNQ3KCNQ2P4HTMKCNE1KCNQ1
SCHEMBL11916044 0.82 P4HTM (0.49) KCNQ3KCNQ2P4HTMNAMPTKCNE1
SCHEMBL13947518 0.81 KCNQ3 (0.67) KCNQ3KCNQ2P4HTMNAMPTRAB9A
SCHEMBL31110262 0.81 KCNQ3 (0.67) KCNQ3KCNQ2P4HTMNAMPTRAB9A
SCHEMBL12921258 0.79 RAB9A (0.66) KCNQ3KCNQ2P4HTMNAMPTRAB9A
SCHEMBL30354781 0.77 CYP11B1 (0.65) KCNQ3KCNQ2P4HTMRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 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-8912330-B2 Azaindole derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-12-16 US disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 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-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 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 (7 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 KCNQ3 1162/4885KCNQ2 997/4885P4HTM 2195/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KCNQ3 2532/4885KCNQ2 1893/4885P4HTM 2773/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KCNQ3 2565/4885KCNQ2 1971/4885P4HTM 2917/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 KCNQ3 795/4885KCNQ2 607/4885P4HTM 3207/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 KCNQ3 1533/4885KCNQ2 1107/4885P4HTM 4548/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 KCNQ3 1162/4885KCNQ2 997/4885P4HTM 2195/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 KCNQ3 1162/4885KCNQ2 997/4885P4HTM 2195/4885

“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.