SCHEMBL20954496

SCHEMBL20954496

O=Cc1csc2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.52
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TRIM24 O15164 1/20 0.44
▸ TRIM33 Q9UPN9 1/20 0.44
▸ ERN1 O75460 2/20 0.41
▸ MAPT P10636 1/20 0.39
▸ CCR1 P32246 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ CCR8 P51685 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ KAT2B Q92831 2/20 0.36
▸ IKBKB O14920 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
SCHEMBL22270961 0.75 KDM4E (0.39) KMT2AKDM4EMEN1NPC1HSP90AA1
SCHEMBL23349947 0.74 TRIM24 (0.44) CYP2A6KMT2AKDM4EMEN1NPC1
SCHEMBL27413953 0.73 CCR1 (0.53) CYP2A6KMT2AKDM4EMEN1NPC1
SCHEMBL30935945 0.73 CCR1 (0.53) CYP2A6KMT2AKDM4EMEN1NPC1
SCHEMBL20954574 0.73 KDM4E (0.36) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL2176528 0.72 AXL (0.42) KMT2AKDM4EMEN1NPC1HSP90AA1
SCHEMBL30489898 0.72 AXL (0.42) KMT2AKDM4EMEN1NPC1HSP90AA1
SCHEMBL26425877 0.72 TTR (0.52) KMT2AMEN1NPC1RAB9A
SCHEMBL2713045 0.71 HSP90AA1 (0.42) KMT2AKDM4EMEN1HSP90AA1IDO1
SCHEMBL3971484 0.71 KDM4E (0.40) KMT2AKDM4EMEN1HSP90AA1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101747339-A 1'-thio-aza indirubin compound, application and preparation method thereof UNIV SHANGHAI JIAOTONG 2010-06-23 — — CN claimed
CN-1489579-A 7-heterocyclyl quinoline and thieno [2, 3-b ] pyridine derivatives as gonadotropin-releasing hormone antagonists ����-������ҩƷ��˾ 2004-04-14 — — CN claimed
CN-111491935-B Novel analogs as modulators of androgen and glucocorticoid receptors 昂科斯特拉公司 2023-08-22 — — CN disclosed
EP-3707143-B9 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2023-04-12 — — EP disclosed
EP-3707143-B1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2022-12-28 — — EP disclosed
US-11453660-B2 Androgen receptor and glucocorticoid receptor modulators ONCOSTELLAE, S.L. 2022-09-27 — — US disclosed
US-20200325123-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE, S.L. (ES) 2020-10-15 — — US disclosed
EP-3707143-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS Oncostellae, S.L. (ES) 2020-09-16 — — EP disclosed
EP-3480201-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS Oncostellae, S.L. (ES) 2019-05-08 — — EP disclosed
CN-101747339-B 1' -thiazaindirubin compound, application and preparation method thereof UNIV SHANGHAI JIAOTONG 2012-04-25 — — CN disclosed
CN-101747339-B 1' -thiazaindirubin compound, application and preparation method thereof UNIV SHANGHAI JIAOTONG 2012-04-25 — — CN disclosed
CN-101747339-A 1'-thio-aza indirubin compound, application and preparation method thereof UNIV SHANGHAI JIAOTONG 2010-06-23 — — CN disclosed
CN-101747339-A 1'-thio-aza indirubin compound, application and preparation method thereof UNIV SHANGHAI JIAOTONG 2010-06-23 — — CN 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 (2 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-20200325123-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS NR5A1, AR, NR3C1 CYP2A6 511/4885KMT2A 4588/4885KDM4E 3692/4885
US-11453660-B2 Androgen receptor and glucocorticoid receptor modulators AR, NR5A1, NR3C1 CYP2A6 445/4885KMT2A 4408/4885KDM4E 3611/4885

“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.

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