SCHEMBL21736052

SCHEMBL21736052

c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc4c3sc3ccccc34)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.36
TNKS2 Q9H2K2 3/20 0.36
PIM1 P11309 4/20 0.34
PIM2 Q9P1W9 4/20 0.34
PIM3 Q86V86 2/20 0.34
NPY5R Q15761 1/20 0.33
LIMK1 P53667 2/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
MMP14 P50281 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2C P28335 1/20 0.32
KRAS P01116 1/20 0.31
HRH4 Q9H3N8 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
SCHEMBL21736021 0.98 TNKS (0.35) TNKSTNKS2PIM1PIM2PIM3
SCHEMBL21736099 0.95 TNKS (0.33) TNKSTNKS2PIM1PIM2PIM3
SCHEMBL20669818 0.94 PIM1 (0.41) PIM1PIM2PIM3NPY5RLIMK1
SCHEMBL21474735 0.94 PIM1 (0.33) TNKSTNKS2PIM1PIM2PIM3
SCHEMBL20670137 0.91 TNKS (0.36) TNKSTNKS2PIM1PIM2HTR2C
SCHEMBL21736096 0.90 TNKS (0.35) TNKSTNKS2PIM1PIM2HTR2C
SCHEMBL16905780 0.90 TNKS (0.36) TNKSTNKS2PIM1PIM2LIMK1
SCHEMBL20669807 0.90 PIM1 (0.38) TNKSTNKS2PIM1PIM2PIM3
SCHEMBL20670218 0.90 KDM4E (0.36) TNKSTNKS2LMNAMAPTL3MBTL1
SCHEMBL21735983 0.90 KDM4E (0.36) TNKSTNKS2PIM1PIM2PIM3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230189645-A1 ORGANIC LIGHT-EMITTING DEVICE, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO., LTD. (KR) 2023-06-15 US disclosed
US-20230189645-A1 ORGANIC LIGHT-EMITTING DEVICE, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO., LTD. (KR) 2023-06-15 US disclosed
US-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 TNKS 4298/4885TNKS2 4286/4885PIM1 2216/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 TNKS 4298/4885TNKS2 4286/4885PIM1 2216/4885

“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.