SCHEMBL21736096

SCHEMBL21736096

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2sc3ccccc3c2n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
HTR2C P28335 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
KRAS P01116 1/20 0.31
HRH4 Q9H3N8 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
SCHEMBL20669997 0.93 TNKS (0.35) TNKSTNKS2HTR2CPIM1PIM2
SCHEMBL20669987 0.93 TNKS (0.35) TNKSTNKS2HTR2CPIM1PIM2
SCHEMBL20670137 0.93 TNKS (0.36) TNKSTNKS2HTR2CPIM1PIM2
SCHEMBL21735865 0.92 TNKS (0.34) TNKSTNKS2HTR2C
SCHEMBL20670218 0.91 KDM4E (0.36) TNKSTNKS2
SCHEMBL21735983 0.91 KDM4E (0.36) TNKSTNKS2PIM1PIM2
SCHEMBL21736052 0.90 TNKS (0.36) TNKSTNKS2HTR2CPIM1PIM2
SCHEMBL21736021 0.90 TNKS (0.35) TNKSTNKS2HTR2CPIM1PIM2
SCHEMBL20670105 0.89 TNKS (0.36) TNKSTNKS2HTR2CPIM1PIM2
SCHEMBL21474735 0.88 PIM1 (0.33) TNKSTNKS2HTR2CPIM1PIM2

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-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 4286/4885HTR2C 2226/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 TNKS 4298/4885TNKS2 4286/4885HTR2C 2226/4885

“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.