SCHEMBL22178604

SCHEMBL22178604

c1ccc2c(c1)c1ccccc1n2-c1ccc2c3c4c5ccccc5n5c6cc(-n7c8ccccc8c8ccccc87)ccc6c(c6c7ccccc7n(c2c1)c63)c45

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR3 P46089 1/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 2/20 0.32
PTPN1 P18031 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HDAC4 P56524 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 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
SCHEMBL24601325 0.98 KDM4E (0.48) KDM4EATML3MBTL1GPR3MAPT
SCHEMBL22178730 0.90 KDM4E (0.47) KDM4EATML3MBTL1GPR3MAPT
SCHEMBL17995059 0.88 KDM4E (0.48) KDM4EATML3MBTL1GPR3MAPT
SCHEMBL24601326 0.88 KDM4E (0.48) KDM4EATML3MBTL1GPR3MAPT
SCHEMBL17146748 0.86 KDM4E (0.47) KDM4EATML3MBTL1GPR3MAPT
SCHEMBL24601408 0.85 KIF11 (0.38) KDM4EATML3MBTL1MAPTALDH1A1
SCHEMBL24601623 0.85 ALKBH5 (0.45) KDM4EATML3MBTL1MAPTPOLB
SCHEMBL24601424 0.85 PGR (0.35) KDM4EATML3MBTL1
SCHEMBL26179742 0.85 KDM4E (0.46) KDM4EATML3MBTL1GPR3MAPT
SCHEMBL24425621 0.85 KDM4E (0.46) KDM4EATML3MBTL1GPR3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200212315-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND COMPOUND IDEMITSU KOSAN CO.,LTD. (JP) 2020-07-02 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-20200212315-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND COMPOUND OR10J3, ESR1, NFE2L2 KDM4E 2780/4885ATM 3269/4885L3MBTL1 713/4885

“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.