SCHEMBL10050413

SCHEMBL10050413

[C-]#[N+]/N=C1\c2ccccc2-c2nc3cc(-c4ccc(C(F)(F)F)cc4)ccc3nc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 4/20 0.39
PIK3CA P42336 4/20 0.39
KDM4E B2RXH2 1/20 0.38
MAOB P27338 1/20 0.38
TOP1 P11387 2/20 0.36
KIF11 P52732 1/20 0.36
DHODH Q02127 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DGAT1 O75907 1/20 0.35
KCNH2 Q12809 1/20 0.35
DHFR P00374 4/20 0.35
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
CHUK O15111 1/20 0.32
TXNRD1 Q16881 1/20 0.32
NOX4 Q9NPH5 1/20 0.32

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
SCHEMBL10050414 1.00 PIK3R1 (0.39) PIK3R1PIK3CAKDM4EMAOBTOP1
SCHEMBL10050415 0.91 PIK3R1 (0.42) PIK3R1PIK3CAKDM4EMAOBTOP1
SCHEMBL10050433 0.90 KDM4E (0.48) PIK3R1PIK3CAKDM4EMAPTRAB9A
SCHEMBL10050416 0.85 PIK3R1 (0.42) PIK3R1PIK3CAMAPTRAB9ASMN1; SMN2
SCHEMBL10050418 0.85 MAPT (0.39) KDM4EMAPTRAB9ASMN1; SMN2KCNH2
SCHEMBL10050401 0.85 MAOB (0.39) KDM4EMAOBTOP1KIF11CHUK
SCHEMBL10074697 0.81 PIK3R1 (0.39) PIK3R1PIK3CAKDM4EMAOBTOP1
SCHEMBL10074696 0.81 PIK3R1 (0.39) PIK3R1PIK3CAKDM4EMAOBTOP1
SCHEMBL10050417 0.81 MAOB (0.38) PIK3R1PIK3CAKDM4EMAOBMAPT
SCHEMBL10050430 0.81 PIK3R1 (0.36) PIK3R1PIK3CAMAPTRAB9ASMN1; SMN2

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 4322/4885KDM4E 573/4885

“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.