SCHEMBL10074707

SCHEMBL10074707

N#C/N=C1\c2ccccc2-c2nc3cc(Oc4ccc(C(F)(F)F)c(F)c4)ccc3nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
AR P10275 6/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
HPGD P15428 1/20 0.33
MAPK8 P45983 2/20 0.32
MAPK9 P45984 2/20 0.32
MAPK10 P53779 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP8 P40818 2/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CNR1 P21554 1/20 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
SCHEMBL10075007 0.87 TP53 (0.39) TP53ALDH1A1MAPTMEN1LMNA
SCHEMBL10075003 0.86 ALDH1A1 (0.39) TP53ALDH1A1MAPTMEN1LMNA
SCHEMBL10074702 0.85 ALDH1A1 (0.41) TP53ALDH1A1MAPTMEN1LMNA
SCHEMBL10050427 0.84 TP53 (0.37) TP53ALDH1A1MAPTMEN1LMNA
SCHEMBL10074523 0.82 TP53 (0.37) TP53ALDH1A1MAPTMEN1LMNA
SCHEMBL10074362 0.81 USP8 (0.36) MAPTARPIK3R1PIK3CAMAPK8
SCHEMBL10075006 0.80 PIK3R1 (0.42) MAPTARPIK3R1PIK3CAMAPK8
SCHEMBL10074361 0.78 KDM4E (0.48) MAPTMAPK8MAPK9MAPK10RAB9A
SCHEMBL10050451 0.78 TP53 (0.34) TP53ALDH1A1MAPTMEN1LMNA
SCHEMBL12248171 0.77 KIF11 (0.45) ARCYP11B1CYP11B2

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 TP53 4223/4885ALDH1A1 1634/4885MAPT 4038/4885

“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.