SCHEMBL17655906

SCHEMBL17655906

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc45)cc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ ATM Q13315 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ HSD17B1 P14061 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL17655950 0.94 ALDH1A1 (0.40) KDM4EATML3MBTL1CA12CA1
SCHEMBL17655805 0.94 ALDH1A1 (0.40) KDM4EATML3MBTL1CA12CA1
SCHEMBL24154174 0.93 CA12 (0.43) KDM4EATML3MBTL1CA12CA1
SCHEMBL14749024 0.93 KDM4E (0.41) KDM4EATML3MBTL1CA12CA1
SCHEMBL17655945 0.93 KDM4E (0.41) KDM4EATML3MBTL1CA12CA1
SCHEMBL17943382 0.92 KDM4E (0.46) KDM4EATML3MBTL1CA12CA1
SCHEMBL25726596 0.91 KDM4E (0.42) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL19276001 0.91 KDM4E (0.47) KDM4EATML3MBTL1CA12CA1
SCHEMBL24372640 0.90 KDM4E (0.40) KDM4EATML3MBTL1CA12CA1
SCHEMBL14749052 0.90 KDM4E (0.41) KDM4EATML3MBTL1CA12CA1

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
EP-3002282-B1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2019-01-02 — — EP disclosed
US-9882145-B2 Hetero ring compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2018-01-30 — — US disclosed
US-9882145-B2 Hetero ring compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2018-01-30 — — US disclosed
US-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-05-19 — — US disclosed
US-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-05-19 — — US disclosed
EP-3002282-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG Chem, Ltd. (KR) 2016-04-06 — — 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 (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-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 KDM4E 2098/4885ATM 2997/4885L3MBTL1 28/4885

“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.

Send feedback