SCHEMBL17714932

SCHEMBL17714932

CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)[nH]c5ccccc56)c4)n3)cc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.36
PDE10A Q9Y233 1/20 0.35
TNKS2 Q9H2K2 1/20 0.34
PDK2 Q15119 3/20 0.33
AHR P35869 1/20 0.33
PTPN1 P18031 1/20 0.33
PTGES O14684 1/20 0.33
PGR P06401 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
TOP2A P11388 1/20 0.33
PARP1 P09874 1/20 0.32
CSNK2A1 P68400 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL19061447 0.91 KIF11 (0.42) KIF11TNKS2PDK2AHRPGR
SCHEMBL24647165 0.89 KIF11 (0.34) KIF11PDE10ATNKS2AHRPTPN1
SCHEMBL18588743 0.87 KIF11 (0.45) KIF11TNKS2AHRPGRALDH1A1
SCHEMBL24169328 0.86 PDK2 (0.37) PDK2MEN1ALDH1A1MAPTHPGD
SCHEMBL24701821 0.86 PDK2 (0.37) PDK2MEN1ALDH1A1MAPTHPGD
SCHEMBL19754699 0.86 PDK2 (0.37) PDK2MEN1ALDH1A1MAPTHPGD
SCHEMBL24169354 0.86 PDK2 (0.37) PDK2MEN1ALDH1A1MAPTHPGD
SCHEMBL24169340 0.86 PDK2 (0.37) PDK2MEN1ALDH1A1MAPTHPGD
SCHEMBL24169663 0.86 PDK2 (0.37) PDK2MEN1ALDH1A1MAPTHPGD
SCHEMBL19754682 0.86 PDK2 (0.37) PDK2MEN1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11111231-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-09-07 US disclosed
EP-3015465-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2019-09-04 EP disclosed
US-20190127352-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-02 US disclosed
US-10253016-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2019-04-09 US disclosed
US-20160204359-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2016-07-14 US disclosed
EP-3015465-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2016-05-04 EP 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 (4 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-10253016-B2 Heterocyclic compound and organic light-emitting device comprising same CRY1, CRY2, NR2E3 KIF11 2728/4885PDE10A 3369/4885TNKS2 2899/4885
US-20160204359-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CRY2, NR2E3 KIF11 2728/4885PDE10A 3369/4885TNKS2 2899/4885
US-11111231-B2 Heterocyclic compound and organic light-emitting device comprising same CRY1, CRY2, NR2E3 KIF11 2728/4885PDE10A 3369/4885TNKS2 2899/4885
US-20190127352-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CRY2, NR2E3 KIF11 2728/4885PDE10A 3369/4885TNKS2 2899/4885

“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.