SCHEMBL17753308

SCHEMBL17753308

c1ccc2c(c1)ccc1[nH]c3ccc(-c4ccc5sc6ccccc6c5c4)cc3c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.52
CCND1 P24385 9/20 0.52
GPR3 P46089 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NQO1 P15559 1/20 0.37
NQO2 P16083 1/20 0.37
MAPT P10636 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TNKS O95271 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35

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
SCHEMBL14979501 0.93 CDK4 (0.53) CDK4CCND1ALDH1A1KDM4ELMNA
SCHEMBL21941592 0.90 CDK4 (0.42) CDK4CCND1GPR3ALDH1A1KDM4E
SCHEMBL23966739 0.87 CDK4 (0.65) CDK4CCND1GPR3ALDH1A1KDM4E
SCHEMBL19636066 0.86 CDK4 (0.43) CDK4CCND1GPR3ALDH1A1KDM4E
SCHEMBL19636072 0.86 CDK4 (0.43) CDK4CCND1GPR3ALDH1A1KDM4E
SCHEMBL17286884 0.85 CDK4 (0.38) CDK4CCND1GPR3ALDH1A1KDM4E
SCHEMBL22870169 0.85 CDK4 (0.60) CDK4CCND1GPR3ALDH1A1KDM4E
SCHEMBL23741418 0.85 KIF11 (0.41) CDK4CCND1GPR3ALDH1A1KDM4E
SCHEMBL14979593 0.84 CDK4 (0.45) CDK4CCND1GPR3ALDH1A1KDM4E
SCHEMBL15003696 0.84 CDK4 (0.53) CDK4CCND1ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230200207-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed
WO-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed
WO-2020032447-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed
WO-2017175987-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME 주식회사 두산 2017-10-12 WO disclosed
WO-2017175985-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME 주식회사 두산 2017-10-12 WO disclosed
US-9698358-B2 Nitrogen-containing polycyclic compound and organic electroluminescent device using the same LG CHEM, LTD. (KR) 2017-07-04 US disclosed
US-9698358-B2 Nitrogen-containing polycyclic compound and organic electroluminescent device using the same LG CHEM, LTD. (KR) 2017-07-04 US disclosed
US-20160141518-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME LG CHEM, LTD. (KR) 2016-05-19 US disclosed
US-20160141518-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME LG CHEM, LTD. (KR) 2016-05-19 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-20160141518-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME NCL, ODC1, PNMT CDK4 1207/4885CCND1 1607/4885GPR3 4590/4885

“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.