SCHEMBL11916248

SCHEMBL11916248

CN1CCN(c2cn[nH]c(=O)c2Cl)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 1.00
ALDH1A1 P00352 3/20 0.71
TIPARP Q7Z3E1 6/20 0.61
TRPC5 Q9UL62 7/20 0.55
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49

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
SCHEMBL20818330 0.82 POLB (0.76) POLBALDH1A1TIPARPTRPC5
SCHEMBL14081025 0.82 POLB (0.76) POLBALDH1A1TIPARPTRPC5
SCHEMBL20818405 0.81 POLB (0.68) POLBALDH1A1TIPARPTRPC5
Hydrochloric Acid SCHEMBL20818166 0.81 POLB (0.73) POLBALDH1A1TIPARPTRPC5
SCHEMBL20831227 0.81 POLB (0.68) POLBALDH1A1TIPARPTRPC5HSP90AA1
SCHEMBL11945587 0.79 POLB (0.64) POLBALDH1A1TIPARPTRPC5
SCHEMBL25686996 0.78 ALDH1A1 (0.77) POLBALDH1A1TIPARPTRPC5
SCHEMBL23573187 0.77 POLB (0.63) POLBALDH1A1TIPARPTRPC5
SCHEMBL21521967 0.76 TIPARP (1.00) POLBALDH1A1TIPARPTRPC5
SCHEMBL23462539 0.76 POLB (0.67) POLBALDH1A1TIPARPTRPC5

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 9 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-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

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 POLB 2246/4885ALDH1A1 4707/4885TIPARP 3463/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 POLB 2336/4885ALDH1A1 4677/4885TIPARP 2908/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 POLB 2638/4885ALDH1A1 4769/4885TIPARP 2833/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 POLB 2380/4885ALDH1A1 4596/4885TIPARP 3811/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 POLB 2638/4885ALDH1A1 4769/4885TIPARP 2833/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 POLB 2246/4885ALDH1A1 4707/4885TIPARP 3463/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 POLB 2246/4885ALDH1A1 4707/4885TIPARP 3463/4885

“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.