SCHEMBL15219342

SCHEMBL15219342

Cn1cnnc1CN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ CXCR4 P61073 8/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ TLR9 Q9NR96 2/20 0.38
▸ TLR8 Q9NR97 2/20 0.38
▸ TLR7 Q9NYK1 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ CXCL12 P48061 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ OPRD1 P41143 1/20 0.36

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
SCHEMBL11915931 0.80 SIGMAR1 (0.39) SIGMAR1LMNACXCR4CHRM2MEN1
SCHEMBL11919074 0.80 SIGMAR1 (0.39) SIGMAR1LMNACXCR4CHRM2MEN1
SCHEMBL209630 0.72 EGLN1 (0.44) SIGMAR1LMNACXCR4TDP1ALDH1A1
SCHEMBL38663995 0.71 GBA1 (0.40) TDP1HRH3SLC6A4
SCHEMBL7613456 0.71 EGLN1 (0.44) SIGMAR1LMNACXCR4MEN1KMT2A
SCHEMBL7462242 0.71 EGLN1 (0.44) SIGMAR1LMNACXCR4CHRM2MEN1
SCHEMBL9932677 0.70 ALDH1A1 (0.44) SIGMAR1LMNACXCR4CHRM2MEN1
Hydrochloric Acid SCHEMBL38662727 0.70 GBA1 (0.39) MEN1KMT2ATDP1HRH3SLC6A4
SCHEMBL10850393 0.69 PLD1 (0.38) SIGMAR1TDP1ALDH1A1
SCHEMBL18740460 0.69 ALDH1A1 (0.35) SIGMAR1TLR7ALDH1A1

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 13 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-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-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 SIGMAR1 3464/4885LMNA 3954/4885CXCR4 3059/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 SIGMAR1 3576/4885LMNA 4121/4885CXCR4 3017/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 SIGMAR1 3899/4885LMNA 4289/4885CXCR4 2837/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 SIGMAR1 3181/4885LMNA 4181/4885CXCR4 3186/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 SIGMAR1 3057/4885LMNA 4433/4885CXCR4 3060/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 SIGMAR1 3464/4885LMNA 3954/4885CXCR4 3059/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 SIGMAR1 3464/4885LMNA 3954/4885CXCR4 3059/4885

“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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