SCHEMBL17753307

SCHEMBL17753307

c1ccc(-n2c3cc(-c4ccc5[nH]c6ccc7ccccc7c6c5c4)ccc3c3c4ccccc4ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.49
CCND1 P24385 10/20 0.49
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ALK Q9UM73 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL14979526 0.93 CDK4 (0.51) CDK4CCND1KDM4ELMNAALDH1A1
SCHEMBL31624124 0.93 CDK4 (0.51) CDK4CCND1KDM4ELMNAALDH1A1
SCHEMBL14979601 0.88 CDK4 (0.51) CDK4CCND1KDM4ELMNAALDH1A1
SCHEMBL19784898 0.88 CDK4 (0.39) CDK4CCND1KDM4EALDH1A1HSD17B10
SCHEMBL16836872 0.85 CDK4 (0.42) CDK4CCND1KDM4ELMNAALDH1A1
SCHEMBL19266551 0.85 L3MBTL1 (0.46) CDK4CCND1KDM4EALDH1A1HSD17B10
SCHEMBL19450255 0.85 CDK4 (0.51) CDK4CCND1KDM4ECCNB2CCNE2
SCHEMBL25190617 0.84 CDK4 (0.52) CDK4CCND1KDM4EALDH1A1CCNB2
SCHEMBL19432952 0.84 CDK4 (0.50) CDK4CCND1KDM4ECCNB2CCNE2
SCHEMBL31484354 0.84 CDK4 (0.52) CDK4CCND1KDM4EALDH1A1CCNB2

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-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 1607/4885KDM4E 1318/4885

“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.