SCHEMBL257570

SCHEMBL257570

Nn1c2ccccc2c2cccnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
LDHA P00338 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDK9 P50750 2/20 0.37
CCNT1 O60563 1/20 0.37
PIM1 P11309 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
KDM4E B2RXH2 4/20 0.37
GPR3 P46089 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL29316828 0.85 KDM4E (0.44) LDHANPC1TP53TSHRSMN1; SMN2
SCHEMBL25944782 0.82 DDB1 (0.46) ACHECDK9CDK2KDM4ECYP1A2
SCHEMBL24421411 0.79 CYP1A2 (0.39) NPC1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL13076390 0.76 KDM4E (0.43) NPC1TP53SMN1; SMN2KDM4EMAPT
SCHEMBL1079159 0.76 FEN1 (0.45) ACHELDHAHDAC3HDAC1HDAC2
SCHEMBL8975801 0.76 ACHE (0.39) ACHELDHAHDAC3HDAC1HDAC2
SCHEMBL25882935 0.76 ACHE (0.39) ACHELDHAHDAC3HDAC1HDAC2
SCHEMBL16011813 0.76 HDAC1 (0.43) ACHELDHAHDAC3HDAC1HDAC2
SCHEMBL280139 0.76 GPR3 (0.58) HDAC3HDAC1HDAC2HDAC6NPC1
SCHEMBL18958671 0.76 ACHE (0.39) ACHELDHAHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023142486-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 WO disclosed
WO-2023142485-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 WO disclosed
EP-4219497-A1 HETEROCYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2023-08-02 EP disclosed
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-27 US disclosed
WO-2022096869-A1 ORGANIC COMPOUNDS FOR USE IN ELECTROLUMINESCENT DEVICES UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2022-05-12 WO disclosed
EP-3647392-A1 LIGHT-EMITTING MATERIAL, COMPOUND, LONG-PERSISTENT PHOSPHOR AND LIGHT-EMITTING ELEMENT Kyulux, Inc. (JP) 2020-05-06 EP disclosed
EP-3339395-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-02 EP disclosed
EP-3339395-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2018-06-27 EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 EP disclosed
WO-2012030145-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-08 WO 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-20220340570-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ACHE 2778/4885LDHA 2097/4885HDAC3 73/4885

“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.