SCHEMBL17629752

SCHEMBL17629752

BrCc1nnc(C2CC2)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
CYP2C19 P33261 1/20 0.33
BRD4 O60885 1/20 0.32
PKM P14618 1/20 0.32
ALOX15B O15296 1/20 0.32
HTT P42858 1/20 0.31
SCN9A Q15858 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL12845867 0.78 ALDH1A1 (0.41) ALDH1A1MAPTPOLBKMT2AL3MBTL1
SCHEMBL17629810 0.78 KMT2A (0.38) ALDH1A1MAPTPOLBKMT2AL3MBTL1
SCHEMBL17864242 0.78 MAPT (0.35) ALDH1A1MAPTPOLBKMT2AL3MBTL1
SCHEMBL10502806 0.74 POLB (0.33) ALDH1A1MAPTPOLBKMT2AL3MBTL1
SCHEMBL15448529 0.72 ALDH1A1 (0.37) ALDH1A1MAPTPOLBKMT2AL3MBTL1
SCHEMBL17153205 0.71 ALDH1A1 (0.33) ALDH1A1MAPTPOLBKMT2AL3MBTL1
SCHEMBL13275612 0.71 KDM1A (0.36) ALDH1A1MAPTPOLBKMT2AL3MBTL1
SCHEMBL13193927 0.71 L3MBTL1 (0.47) ALDH1A1MAPTPOLBKMT2AL3MBTL1
SCHEMBL17582357 0.71 ALDH1A1 (0.40) ALDH1A1MAPTPOLBKMT2AL3MBTL1
SCHEMBL20456851 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106687458-B Substituted oxopyridine derivatives 拜耳制药股份公司 2020-10-27 CN disclosed
EP-3197873-B1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Pharma AG (DE) 2018-10-24 EP disclosed
US-20170298052-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-19 US disclosed
US-20170298052-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-19 US disclosed
US-20170298052-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-19 US disclosed
EP-3197873-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2017-08-02 EP disclosed
CN-106687458-A Substituted oxopyridine derivatives 拜耳制药股份公司 2017-05-17 CN disclosed
WO-2016046164-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-31 WO disclosed
WO-2016046164-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-31 WO 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-20170298052-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES OGFOD1, PNPO, VASP ALDH1A1 1944/4885MAPT 4488/4885POLB 687/4885

“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.