SCHEMBL18512239

SCHEMBL18512239

COC(=O)c1n[nH]c2c(Br)ccc(OC)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ MAPT P10636 5/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL18512235 0.74 NQO2 (0.36) KDM4EMAPTALDH1A1MAPK1ERN1
SCHEMBL18512242 0.74 KDM4E (0.59) KDM4ESTAT3HIF1AMAPTKDM4C
SCHEMBL31728573 0.72 KDM4E (0.50) KDM4ESTAT3HIF1AMAPTKDM4C
SCHEMBL2599805 0.72 KDM4E (0.60) KDM4ESTAT3HIF1AMAPTKDM4C
SCHEMBL31523615 0.71 KIT (0.44) KDM4EMAPTALDH1A1NTRK2KMT2A
SCHEMBL22532216 0.71 KDM4E (0.49) KDM4ESTAT3HIF1AMAPTKDM4C
SCHEMBL16597363 0.71 KDM4E (0.47) KDM4ESTAT3HIF1AMAPTKDM4C
SCHEMBL7356720 0.71 KDM4E (0.59) KDM4ESTAT3HIF1AMAPTKDM4C
SCHEMBL22605161 0.69 MAPT (0.38) KDM4EMAPTALDH1A1KMT2AF2
SCHEMBL29122039 0.69 KDM4E (0.52) KDM4ESTAT3HIF1AMAPTKDM4C

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 KDM4E 2242/4885STAT3 4385/4885HIF1A 3864/4885

“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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