SCHEMBL20938469

SCHEMBL20938469

c1ccc2c(c1)-c1ccccc1C21c2ccccc2N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3cccc1c32

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
OPRK1 P41145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PDK2 Q15119 2/20 0.32
PGR P06401 2/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
S100A4 P26447 1/20 0.31
MAPK1 P28482 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
SCHEMBL24608664 0.89 KMT2A (0.37) MEN1KMT2AMAPTLMNAPGR
SCHEMBL24894040 0.86 AKT1 (0.38) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL24527786 0.86 P2RX4 (0.34) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL20938312 0.86 MAOA (0.34) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL20938317 0.86 MAOA (0.34) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL20315956 0.85 KMT2A (0.42) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL15960559 0.85 ESR1 (0.38) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL20938462 0.84 ALDH1A1 (0.34) KMT2APDK2
SCHEMBL20383140 0.84 MGLL (0.46) MAPTTHRBTDP1MAPK1
SCHEMBL17084399 0.84 SMN1; SMN2 (0.37) MEN1KMT2AKDM4EMAPTLMNA

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-10886476-B2 Polycyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-01-05 US disclosed
US-20190123287-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD (KR) 2019-04-25 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 (2 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-10886476-B2 Polycyclic compound and organic electroluminescence device including the same TRPC1, PPOX, TRPC6 MEN1 1038/4885KMT2A 1464/4885KDM4E 2552/4885
US-20190123287-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME TRPC1, PPOX, TRPC6 MEN1 1038/4885KMT2A 1464/4885KDM4E 2552/4885

“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.