SCHEMBL10074696

SCHEMBL10074696

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

nearest known ligand 0.40

Predicted protein targets (top 17)

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
KIF11 P52732 2/20 0.36
TOP1 P11387 2/20 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 2/20 0.35
KCNH2 Q12809 2/20 0.35
SOAT1 P35610 1/20 0.35
DHFR P00374 3/20 0.35
MYC P01106 1/20 0.34
WDR5 P61964 1/20 0.34
TYMS P04818 1/20 0.34

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
SCHEMBL10074697 1.00 PIK3R1 (0.39) PIK3R1PIK3CAKDM4EMAOBKIF11
SCHEMBL10075002 0.91 PIK3R1 (0.42) PIK3R1PIK3CAKDM4EMAOBKIF11
SCHEMBL10074361 0.90 KDM4E (0.48) KDM4EMAPTRAB9ASMN1; SMN2DHFR
SCHEMBL10075006 0.85 PIK3R1 (0.42) PIK3R1PIK3CAKIF11MAPTRAB9A
SCHEMBL10075003 0.85 ALDH1A1 (0.39) KDM4EMAPTRAB9ASMN1; SMN2KCNH2
SCHEMBL10075462 0.85 MYC (0.40) KDM4EMAOBKIF11TOP1MYC
SCHEMBL10075004 0.84 MAOB (0.40) PIK3R1PIK3CAKDM4EMAOBMAPT
SCHEMBL12247837 0.82 KIF11 (0.40) KDM4EMAOBKIF11TOP1MAPT
SCHEMBL10050414 0.81 PIK3R1 (0.39) PIK3R1PIK3CAKDM4EMAOBKIF11
SCHEMBL10050413 0.81 PIK3R1 (0.39) PIK3R1PIK3CAKDM4EMAOBKIF11

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.