SCHEMBL15910362

SCHEMBL15910362

CCCN(C(=O)C(C)C)c1cnn(-c2cccnc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.40
PRMT5 O14744 1/20 0.37
TGFBR1 P36897 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
RIPK2 O43353 2/20 0.36
TP53 P04637 1/20 0.35
CYP2A6 P11509 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 2/20 0.35
ERCC5 P28715 1/20 0.35
ELANE P08246 1/20 0.34
MTOR P42345 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNN4 O15554 1/20 0.34
KCNA5 P22460 1/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL14904626 0.91 HTT (0.41) MLYCDPRMT5TGFBR1ADORA2AADORA2B
SCHEMBL15975570 0.84 LMNA (0.46) MLYCDPRMT5HTTLMNAERCC5
SCHEMBL2690115 0.82 CYP2A6 (0.39) MLYCDPRMT5TGFBR1RIPK2CYP2A6
SCHEMBL4969611 0.81 TGFBR1 (0.38) PRMT5TGFBR1RIPK2CYP2A6HTT
SCHEMBL2730846 0.81 HTT (0.48) PRMT5TGFBR1ADORA2AADORA2BADORA1
SCHEMBL14904596 0.81 ALDH1A1 (0.35) PRMT5TGFBR1ADORA2AADORA2BADORA1
SCHEMBL14904593 0.78 LMNA (0.46) PRMT5TP53HTTLMNAERCC5
SCHEMBL15356762 0.77 ALDH1A1 (0.38) PRMT5TGFBR1ADORA2AADORA2BADORA1
SCHEMBL14904711 0.75 HTT (0.40) PRMT5TGFBR1ADORA2AADORA2BADORA1
SCHEMBL15356790 0.75 QPCT (0.41) PRMT5RIPK2CYP2A6HTTSMN1; SMN2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10165775-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-01-01 US disclosed
US-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed
US-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed
US-9655365-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-05-23 US disclosed
US-9655365-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-05-23 US disclosed
US-9591857-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-03-14 US disclosed
US-9591857-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-03-14 US disclosed
US-9422278-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-08-23 US disclosed
US-9422278-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-08-23 US disclosed
US-9282739-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-03-15 US disclosed
US-20150335022-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-11-26 US disclosed
US-8937083-B2 Pesticidal compositions and processes related thereto DowAgroSciences, LLC (US) 2015-01-20 US disclosed
US-8937083-B2 Pesticidal compositions and processes related thereto DowAgroSciences, LLC (US) 2015-01-20 US disclosed
US-8901153-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-12-02 US disclosed
US-8901153-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-12-02 US disclosed
US-8815271-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-08-26 US disclosed
US-8815271-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-08-26 US disclosed
US-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-07-31 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 (3 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-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS MLYCD 421/4885PRMT5 1049/4885TGFBR1 1799/4885
US-20150335022-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS MLYCD 421/4885PRMT5 1049/4885TGFBR1 1799/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS MLYCD 421/4885PRMT5 1049/4885TGFBR1 1799/4885

“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.