SCHEMBL12145803

SCHEMBL12145803

CC(C)n1nnnc1-n1cccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ G6PD P11413 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MCOLN2 Q8IZK6 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ MAPK1 P28482 2/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TSHR P16473 1/20 0.30

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
SCHEMBL12147160 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL21379803 0.73 KDM4E (0.37) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL11915952 0.72 ALDH1A1 (0.34) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL11919086 0.72 ALDH1A1 (0.37) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL6910258 0.68 POLB (0.37) POLBALDH1A1KDM4EKMT2ALMNA
SCHEMBL15724374 0.62 LMNA (0.40) POLBCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL26067041 0.62 TDO2 (0.37) POLBALDH1A1KDM4EKMT2ALMNA
SCHEMBL28661523 0.62 TDO2 (0.40) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL14961826 0.62 POLB (0.47) POLBALDH1A1KDM4EKMT2ALMNA
SCHEMBL10080953 0.62 POLB (0.65) POLBALDH1A1KDM4EKMT2AMEN1

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 10 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-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-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 — — US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 — — 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 (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 2246/4885CYP1A2 3732/4885CYP2C19 1886/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 POLB 2336/4885CYP1A2 3953/4885CYP2C19 2440/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 POLB 2638/4885CYP1A2 4160/4885CYP2C19 2603/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 POLB 2638/4885CYP1A2 4160/4885CYP2C19 2603/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 POLB 2246/4885CYP1A2 3732/4885CYP2C19 1886/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 POLB 2246/4885CYP1A2 3732/4885CYP2C19 1886/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 POLB 1938/4885CYP1A2 673/4885CYP2C19 656/4885

“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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