SCHEMBL10050422

SCHEMBL10050422

[C-]#[N+]/N=C1\c2ccccc2-c2nc3cc(-c4ccco4)ccc3nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 12/20 0.52
PIK3CA P42336 12/20 0.52
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 4/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RECQL P46063 3/20 0.41
BLM P54132 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
PTPN7 P35236 3/20 0.41
HPGD P15428 2/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL10074701 0.81 PIK3R1 (0.52) PIK3R1PIK3CATDP1MEN1ALDH1A1
SCHEMBL10050413 0.77 PIK3R1 (0.39) PIK3R1PIK3CAMAPTKDM4EMAPK8
SCHEMBL10050417 0.77 MAOB (0.38) PIK3R1PIK3CAALDH1A1MAPTKDM4E
SCHEMBL10050414 0.77 PIK3R1 (0.39) PIK3R1PIK3CAMAPTKDM4EMAPK8
SCHEMBL10050421 0.76 RAB9A (0.40) PIK3R1PIK3CATDP1MEN1ALDH1A1
SCHEMBL10050416 0.74 PIK3R1 (0.42) PIK3R1PIK3CAMAPTMAPK8MAPK9
SCHEMBL10050433 0.73 KDM4E (0.48) PIK3R1PIK3CAMAPTKDM4EMAPK8
SCHEMBL12226941 0.71 TDP1 (0.44) PIK3R1PIK3CATDP1MEN1ALDH1A1
SCHEMBL10050415 0.71 PIK3R1 (0.42) PIK3R1PIK3CAALDH1A1POLBKDM4E
SCHEMBL10050430 0.71 PIK3R1 (0.36) PIK3R1PIK3CAMEN1ALDH1A1MAPT

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 4322/4885TDP1 3312/4885

“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.