SCHEMBL10050430

SCHEMBL10050430

[C-]#[N+]/N=C1\c2ccccc2-c2nc3cc(C(F)(F)F)c(C(F)(F)F)cc3nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
MAPK8 P45983 5/20 0.35
MAPK9 P45984 5/20 0.35
MAPK10 P53779 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
BACE1 P56817 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
AHR P35869 1/20 0.32
CSNK1D P48730 2/20 0.32
PIK3CG P48736 2/20 0.32
MKNK2 Q9HBH9 2/20 0.32
HPGD P15428 1/20 0.31
ACP1 P24666 1/20 0.31
USP8 P40818 2/20 0.30
MPL P40238 1/20 0.30
MEN1 O00255 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
SCHEMBL10050433 0.85 KDM4E (0.48) PIK3R1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL10050416 0.84 PIK3R1 (0.42) PIK3R1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL10050415 0.83 PIK3R1 (0.42) PIK3R1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL10050413 0.81 PIK3R1 (0.39) PIK3R1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL10050414 0.81 PIK3R1 (0.39) PIK3R1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL10050427 0.81 TP53 (0.37) PIK3R1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL10050418 0.79 MAPT (0.39) MAPK8MAPK9MAPK10SMN1; SMN2RAB9A
SCHEMBL10050405 0.78 RORB (0.35) SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL10074362 0.78 USP8 (0.36) PIK3R1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL10050406 0.76 ADORA2A (0.45) MAPK9MAPTALDH1A1HPGD

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 PIK3R1 4703/4885PIK3CA 4322/4885MAPK8 3317/4885

“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.