SCHEMBL4855699

SCHEMBL4855699

C1=NC(c2ccc(-c3ccc(C4(c5cccc6ccccc56)N=CC=N4)cc3)cc2)(c2cccc3ccccc23)N=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A3 Q01959 7/20 0.35
SLC6A4 P31645 5/20 0.35
SLC6A2 P23975 4/20 0.35
ALDH1A1 P00352 4/20 0.32
CYP2A6 P11509 3/20 0.32
TSHR P16473 3/20 0.32
HSD17B10 Q99714 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
HPGD P15428 2/20 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
SCHEMBL8666981 0.61 MAPT (0.39) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL30122908 0.60 CA12 (0.66) KDM4EMAPTMAPK1ALDH1A1CYP2A6
SCHEMBL14886295 0.59 CYP2A6 (0.42) MAPTSLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL9929061 0.59 MEN1 (0.44) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL28240863 0.59 MEN1 (0.53) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL31383390 0.59 MEN1 (0.44) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL23709164 0.59 MAPK1 (0.40) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL4737392 0.58 ALDH1A1 (0.53) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL23730320 0.58 MAPT (0.57) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL22750609 0.58 SLC6A3 (0.41) KDM4EMEN1MAPTMAPK1KMT2A

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-7388100-B2 Tertiary amine compounds NISHIO TETSUYA 2008-06-17 US disclosed
US-20060145145-A1 Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same NISHIO TETSUYA 2006-07-06 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-20060145145-A1 Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same PIEZO1, YES1, SAT1 KDM4E 710/4885MEN1 1103/4885MAPT 1211/4885

“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.