SCHEMBL18512250

SCHEMBL18512250

CCOC(=O)CCc1cc(Br)cc(C2COC2)c1OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.38
▸ CYP4A11 Q02928 2/20 0.38
▸ CA1 P00915 6/20 0.36
▸ CA2 P00918 6/20 0.36
▸ CA9 Q16790 5/20 0.36
▸ CA12 O43570 3/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ DPP4 P27487 1/20 0.33

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
SCHEMBL18512268 0.81 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1CYP1A2CYP2C19
SCHEMBL7694108 0.69 MEN1 (0.51) CYP4F2CYP4A11ALDH1A1GAAKMT2A
SCHEMBL20754232 0.68 IMPDH2 (0.50) CYP4F2CYP4A11CA1CA2CA9
SCHEMBL14874444 0.68 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1GAAKMT2A
SCHEMBL6152870 0.68 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1CYP1A2CYP2C19
SCHEMBL23256386 0.67 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1CYP1A2CYP2C19
SCHEMBL17211776 0.67 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1GAAKMT2A
SCHEMBL25629660 0.67 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1CYP1A2CYP2C19
SCHEMBL491048 0.66 CYP1A2 (0.55) CYP4F2CYP4A11ALDH1A1CYP1A2KMT2A
SCHEMBL17722574 0.66 CYP4F2 (0.54) CYP4F2CYP4A11CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 — — US disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 — — US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — 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 (1 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-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF ENPP2, ATXN2, ATXN2L CYP4F2 3049/4885CYP4A11 3988/4885CA1 3950/4885

“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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