Sugi Predict

Sugi Predict / Compounds / SCHEMBL11902166

SCHEMBL11902166

SCHEMBL11902166

Nc1nnc(N2CCC(N3CCCCC3)CC2)s1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.69
▸ ALDH1A1 P00352 2/20 0.69
▸ MAPK1 P28482 2/20 0.69
▸ HSD17B10 Q99714 1/20 0.69
▸ HRH3 Q9Y5N1 17/20 0.62
▸ KDM4E B2RXH2 1/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL11372459 0.82 ALDH1A1 (1.00) GAAALDH1A1MAPK1HSD17B10HRH3
SCHEMBL5631018 0.82 ALDH1A1 (1.00) GAAALDH1A1MAPK1HSD17B10HRH3
SCHEMBL2377170 0.82 HRH3 (0.64) HRH3
SCHEMBL12244679 0.81 HRH3 (0.72) ALDH1A1MAPK1HRH3KDM4ENPC1
SCHEMBL5199794 0.80 ALDH1A1 (0.96) GAAALDH1A1MAPK1HSD17B10HRH3
SCHEMBL26983227 0.78 HRH3 (0.55) GAAALDH1A1MAPK1HSD17B10HRH3
SCHEMBL12244668 0.77 HRH3 (1.00) HRH3
SCHEMBL12244653 0.77 HRH3 (0.78) HRH3
SCHEMBL17654176 0.76 ALDH1A1 (0.79) GAAALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL8132450 0.76 ALDH1A1 (1.00) GAAALDH1A1MAPK1HSD17B10HRH3

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
US-20110224187-A1 PYRROLIDINE, PIPERIDINE AND PIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2011-09-15 — — US disclosed
US-20110224187-A1 PYRROLIDINE, PIPERIDINE AND PIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2011-09-15 — — 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 (10 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 GAA 1389/4885ALDH1A1 4707/4885MAPK1 210/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 GAA 1817/4885ALDH1A1 4677/4885MAPK1 63/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 GAA 1821/4885ALDH1A1 4769/4885MAPK1 90/4885
US-20110224187-A1 PYRROLIDINE, PIPERIDINE AND PIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF GID4, GPR119, IL5 GAA 302/4885ALDH1A1 734/4885MAPK1 1576/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 GAA 1352/4885ALDH1A1 4596/4885MAPK1 209/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 GAA 1821/4885ALDH1A1 4769/4885MAPK1 90/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 GAA 1817/4885ALDH1A1 4677/4885MAPK1 63/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 GAA 1389/4885ALDH1A1 4707/4885MAPK1 210/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 GAA 1389/4885ALDH1A1 4707/4885MAPK1 210/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 GAA 1817/4885ALDH1A1 4677/4885MAPK1 63/4885

“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.