SCHEMBL17636664

SCHEMBL17636664

c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)n(-c3ccccc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPY5R Q15761 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KDM4A O75164 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 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
SCHEMBL17636662 0.95 KDM4E (0.41) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL17636642 0.93 KDM4E (0.41) KDM4EATML3MBTL1SMN1; SMN2KDM4A
SCHEMBL21532766 0.91 PTGER4 (0.38) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL17636666 0.90 KDM4E (0.41) KDM4EATML3MBTL1SMN1; SMN2NPC1
SCHEMBL17636645 0.89 KDM4E (0.41) KDM4EATML3MBTL1SMN1; SMN2KDM4A
SCHEMBL13130311 0.88 KDM4E (0.39) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL21532230 0.88 PTGER4 (0.34) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL21532216 0.88 PTGER4 (0.34) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL17636879 0.88 PDPK1 (0.41) PTGER4KDM4E
SCHEMBL13130308 0.88 KDM4E (0.41) PTGER4KDM4EATML3MBTL1NPY5R

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-9960365-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-01 US disclosed
US-9960365-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-01 US disclosed
US-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-03-31 US disclosed
US-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-03-31 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-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNA1 PTGER4 929/4885KDM4E 2877/4885ATM 1091/4885

“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.