SCHEMBL18512235

SCHEMBL18512235

COc1ccc(Br)c2[nH]nc(I)c12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 3/20 0.36
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ AMY1A P0DUB6 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ THRB P10828 1/20 0.31

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
SCHEMBL31411308 0.80 MAPT (0.35) NQO2MAPTKDM4EPOLBMEN1
SCHEMBL18512239 0.74 KDM4E (0.42) MAPTKDM4EMEN1GAAKMT2A
SCHEMBL31198964 0.74 — —
SCHEMBL31198884 0.74 CHEK1 (0.34) GAA
Iodide SCHEMBL31198944 0.72 — —
SCHEMBL31574996 0.70 ALOX5AP (0.36) NQO2MAPTMEN1KMT2A
SCHEMBL17883981 0.70 CYP19A1 (0.45) NQO2MAPTKDM4EPOLBMEN1
SCHEMBL14631557 0.69 HTR2A (0.50) MEN1KMT2AHPGD
SCHEMBL4726393 0.69 MAPT (0.46) NQO2MAPTKDM4EPOLBMEN1
SCHEMBL31722511 0.69 MAPT (0.46) NQO2MAPTKDM4EPOLBMEN1

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 NQO2 246/4885MAPT 1937/4885KDM4E 2242/4885

“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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