SCHEMBL22400501

SCHEMBL22400501

CC(=O)/C(C#N)=C/c1csc2c(C#N)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
NOTUM Q6P988 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MAPT P10636 4/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL22400503 1.00 PDE10A (0.36) PDE10APOLBALDH1A1KMT2AHPGD
SCHEMBL20954535 0.87 PDE10A (0.37) PDE10AALDH1A1KMT2AKDM4ELMNA
SCHEMBL20954588 0.84 KDM4E (0.37) PDE10AALDH1A1KMT2AKDM4ELMNA
SCHEMBL22400535 0.84 KDM4E (0.37) PDE10AALDH1A1KMT2AKDM4ELMNA
SCHEMBL22400592 0.82 PDE10A (0.35) PDE10ANOTUM
SCHEMBL29883607 0.81 PDE10A (0.36) PDE10APOLBKDM4ELMNAADORA2A
SCHEMBL22527418 0.81 PDE10A (0.36) PDE10APOLBKDM4ELMNAADORA2A
SCHEMBL29882727 0.76 PDE10A (0.32) PDE10A
SCHEMBL20954531 0.76 CYP2A6 (0.51) PDE10AALDH1A1KMT2AKDM4ELMNA
SCHEMBL29883073 0.76 NPC1 (0.33) PDE10APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-111491935-A Novel analogs as androgen receptor and glucocorticoid receptor modulators 昂科斯特拉公司 2020-08-04 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 PDE10A 2555/4885POLB 757/4885ALDH1A1 1672/4885
US-11453660-B2 Androgen receptor and glucocorticoid receptor modulators AR, NR5A1, NR3C1 PDE10A 2930/4885POLB 1004/4885ALDH1A1 1496/4885

“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.