SCHEMBL10075448

SCHEMBL10075448

N#C/N=C1\c2ccccc2-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP8 P40818 5/20 0.35
RORB Q92753 2/20 0.35
CTSS P25774 2/20 0.35
MAOB P27338 2/20 0.34
CTSK P43235 1/20 0.34
RORC P51449 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL10075453 0.90 ADORA2A (0.45) HPGDNPSR1RORBCTSSMAOB
SCHEMBL10075462 0.88 MYC (0.40) MEN1KMT2ACYP1A2POLBCYP2C19
SCHEMBL12248168 0.87 ADORA2A (0.47) HPGDNPSR1RORBCTSSMAOB
SCHEMBL12247837 0.85 KIF11 (0.40) MEN1KMT2ACYP1A2POLBCYP2C19
SCHEMBL10075002 0.81 PIK3R1 (0.42) CYP1A2POLBCYP2C19SMN1; SMN2USP8
SCHEMBL10074361 0.81 KDM4E (0.48) SMN1; SMN2USP8KDM4EMAPT
SCHEMBL10074697 0.79 PIK3R1 (0.39) SMN1; SMN2MAOBKDM4EMAPT
SCHEMBL10075464 0.79 AR (0.55)
SCHEMBL10074696 0.79 PIK3R1 (0.39) SMN1; SMN2MAOBKDM4EMAPT
SCHEMBL12248167 0.79 ADORA1 (0.34) HPGDNPSR1USP8ADORA2AADORA1

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 MEN1 658/4885KMT2A 1950/4885CYP1A2 1792/4885

“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.