SCHEMBL21396766

SCHEMBL21396766

N#Cc1c(-c2cccc(-n3c4ccccc4c4ccccc43)n2)cccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
PIM1 P11309 1/20 0.33
DUSP3 P51452 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31

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
SCHEMBL21396953 0.83 IMPDH2 (0.34) SMN1; SMN2ALDH1A1KDM4EPOLBTUBB4A
SCHEMBL21397161 0.83 KDM4E (0.37) EGFRSRCALDH1A1KDM4EPIM1
SCHEMBL19051994 0.82 ALDH1A1 (0.43) EGFRSRCSMN1; SMN2HIF1AALDH1A1
SCHEMBL21396648 0.82 IMPDH2 (0.33) SMN1; SMN2ALDH1A1KDM4EPOLBTUBB4A
SCHEMBL21396703 0.81 KDM4E (0.38) EGFRSRCSMN1; SMN2HIF1AALDH1A1
SCHEMBL19755252 0.79 ALDH1A1 (0.41) EGFRSRCSMN1; SMN2HIF1AALDH1A1
SCHEMBL8739872 0.79 ALDH1A1 (0.48) EGFRSRCSMN1; SMN2HIF1AALDH1A1
SCHEMBL30968747 0.79 ALDH1A1 (0.48) EGFRSRCSMN1; SMN2HIF1AALDH1A1
SCHEMBL14770578 0.78 ALDH1A1 (0.34) ALDH1A1KDM4EDUSP3POLBTUBB4A
SCHEMBL22377824 0.78 ALDH1A1 (0.40) EGFRSRCSMN1; SMN2HIF1AALDH1A1

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
EP-3543230-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-05-05 EP disclosed
US-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 EGFR 2656/4885SRC 4026/4885SMN1; SMN2 3762/4885

“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.