SCHEMBL21950282

SCHEMBL21950282

N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(C#N)c(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(C#N)c2-n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ AR P10275 1/20 0.34
▸ PDE9A O76083 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ USP14 P54578 1/20 0.31
▸ PTGER4 P35408 1/20 0.30
▸ SLC22A12 Q96S37 1/20 0.30
▸ RORC P51449 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
SCHEMBL21950283 0.93 KDM4E (0.42) KDM4EATML3MBTL1HPGDCYP1A2
SCHEMBL24510015 0.92 ATM (0.41) KDM4EATML3MBTL1HPGDCYP1A2
SCHEMBL20595934 0.91 KDM4E (0.42) KDM4EATML3MBTL1HPGDCYP1A2
SCHEMBL24327934 0.91 KDM4E (0.42) KDM4EATML3MBTL1HPGDCYP1A2
SCHEMBL21950608 0.91 HPGD (0.46) KDM4EATML3MBTL1HPGDCYP1A2
SCHEMBL21950730 0.90 KDM4E (0.36) KDM4EATML3MBTL1HPGDCYP1A2
SCHEMBL24510052 0.89 ATM (0.39) KDM4EATML3MBTL1HPGDCYP1A2
SCHEMBL21950637 0.88 MAPT (0.41) KDM4EATML3MBTL1HPGDCYP1A2
SCHEMBL21950725 0.87 KDM4E (0.42) KDM4EATML3MBTL1HPGDCYP1A2
SCHEMBL21454592 0.87 KDM4E (0.42) KDM4EATML3MBTL1HPGDCYP1A2

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-20220223798-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2022-07-14 — — US disclosed
WO-2020085765-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2020-04-30 — — WO 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-20220223798-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE CHRM2, CCND3, CCNE2 KDM4E 3685/4885ATM 498/4885L3MBTL1 870/4885

“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.

Send feedback