SCHEMBL10075003

SCHEMBL10075003

N#C/N=C1\c2ccccc2-c2nc3cc(Oc4ccc(C(F)(F)F)cc4)ccc3nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPK10 P53779 2/20 0.34
DHFR P00374 6/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN9A Q15858 1/20 0.33
USP8 P40818 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL10074702 0.88 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10074361 0.87 KDM4E (0.48) MAPTKDM4EMAPK8MAPK9MAPK10
SCHEMBL10074707 0.86 TP53 (0.37) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10074696 0.85 PIK3R1 (0.39) MAPTKDM4EDHFRRAB9ASMN1; SMN2
SCHEMBL10074697 0.85 PIK3R1 (0.39) MAPTKDM4EDHFRRAB9ASMN1; SMN2
SCHEMBL10075007 0.83 TP53 (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10075002 0.83 PIK3R1 (0.42) ALDH1A1MAPTKDM4EMAPK8MAPK9
SCHEMBL10050418 0.83 MAPT (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10074518 0.80 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10074362 0.79 USP8 (0.36) MAPTMAPK8MAPK9MAPK10RAB9A

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-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 ALDH1A1 1634/4885MAPT 4038/4885MEN1 658/4885

“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.