SCHEMBL12147160

SCHEMBL12147160

Cn1nnnc1-n1cccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ G6PD P11413 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ MAPK1 P28482 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ MGLL Q99685 1/20 0.31
▸ ADORA2A P29274 4/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL21379803 0.77 KDM4E (0.37) ALDH1A1KDM4ELMNAMEN1GAA
SCHEMBL12145803 0.77 POLB (0.36) ALDH1A1KDM4ELMNAMEN1GAA
SCHEMBL11919086 0.77 ALDH1A1 (0.37) ALDH1A1KDM4ELMNAMEN1GAA
SCHEMBL11915952 0.77 ALDH1A1 (0.34) ALDH1A1KDM4ELMNAMEN1GAA
SCHEMBL12320460 0.68 LPO (0.40) ALDH1A1KDM4ELMNAMEN1GAA
SCHEMBL28661523 0.65 TDO2 (0.40) ALDH1A1KDM4ELMNAMEN1GAA
SCHEMBL17476686 0.65 KDM4E (0.48) ALDH1A1KDM4ELMNAMEN1GAA
SCHEMBL11146813 0.64 KDM4E (0.36) ALDH1A1KDM4ELMNAMEN1GAA
SCHEMBL4212244 0.64 NOTUM (0.42) ALDH1A1KDM4ELMNAMEN1GAA
SCHEMBL18292120 0.62 SMN1; SMN2 (0.50) ALDH1A1KDM4ELMNAMEN1GAA

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
EP-2365809-B1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2018-07-18 — — EP 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-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
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 — — 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 (8 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 4707/4885KDM4E 1527/4885LMNA 3954/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALDH1A1 4677/4885KDM4E 1164/4885LMNA 4121/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALDH1A1 4769/4885KDM4E 1122/4885LMNA 4289/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 ALDH1A1 3173/4885KDM4E 1170/4885LMNA 4181/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 ALDH1A1 2111/4885KDM4E 464/4885LMNA 4433/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ALDH1A1 4707/4885KDM4E 1527/4885LMNA 3954/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ALDH1A1 4707/4885KDM4E 1527/4885LMNA 3954/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 ALDH1A1 3173/4885KDM4E 1170/4885LMNA 4181/4885

“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.

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