SCHEMBL17636645

SCHEMBL17636645

c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4c3)nn2-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KDM4A O75164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL17636642 0.96 KDM4E (0.41) KDM4EATML3MBTL1SMN1; SMN2KMT2A
SCHEMBL17636662 0.94 KDM4E (0.41) KDM4EATML3MBTL1SMN1; SMN2KMT2A
SCHEMBL18538759 0.92 KDM4E (0.47) KDM4EATML3MBTL1SMN1; SMN2KDM4A
SCHEMBL17636643 0.91 KDM4E (0.41) KDM4EATML3MBTL1SMN1; SMN2KMT2A
SCHEMBL17636653 0.89 MAPT (0.42) L3MBTL1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL17636664 0.89 PTGER4 (0.41) KDM4EATML3MBTL1SMN1; SMN2KDM4A
SCHEMBL15304456 0.89 KDM4E (0.41) KDM4EATML3MBTL1SMN1; SMN2KMT2A
SCHEMBL17636881 0.88 PDPK1 (0.44) KDM4EATMKMT2AMEN1ALDH1A1
SCHEMBL21532765 0.87 KDM4E (0.36) KDM4EATML3MBTL1SMN1; SMN2KMT2A
SCHEMBL21532215 0.87 SMN1; SMN2 (0.32) KDM4EATML3MBTL1SMN1; SMN2KMT2A

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 KDM4E 2877/4885ATM 1091/4885L3MBTL1 178/4885

“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.