SCHEMBL18525604

SCHEMBL18525604

COCCn1nc(C(=O)OC)c2cc(Br)ccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.57
PTGER4 P35408 2/20 0.46
IDO1 P14902 1/20 0.41
HCAR3 P49019 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DYRK1A Q13627 1/20 0.39
NR4A2 P43354 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
CTRB1 P17538 1/20 0.38

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
SCHEMBL30676419 0.89 ELANE (0.58) ELANEPTGER4L3MBTL1NR4A2SMN1; SMN2
SCHEMBL29122000 0.89 ELANE (0.58) ELANEPTGER4L3MBTL1NR4A2LMNA
SCHEMBL29122252 0.89 ELANE (0.58) ELANEPTGER4L3MBTL1NR4A2SMN1; SMN2
SCHEMBL29122008 0.86 ELANE (0.56) ELANESMN1; SMN2
SCHEMBL31584466 0.86 ELANE (0.46) ELANEPTGER4HCAR3KDM4CF2
SCHEMBL29121525 0.86 ELANE (0.60) ELANEPTGER4L3MBTL1NR4A2LMNA
SCHEMBL25930827 0.84 ELANE (0.58) ELANEIDO1L3MBTL1NR4A2F2
SCHEMBL29121991 0.82 ELANE (0.57) ELANEKDM4CL3MBTL1NR4A2SMN1; SMN2
SCHEMBL18525606 0.82 ELANE (0.52) ELANEPTGER4L3MBTL1NR4A2SMN1; SMN2
SCHEMBL18526221 0.82 ELANE (0.52) ELANEPTGER4IDO1L3MBTL1NR4A2

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 2 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-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 ELANE 415/4885PTGER4 3566/4885IDO1 196/4885

“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.