SCHEMBL22400550

SCHEMBL22400550

Clc1ccnc2c(/C=C/c3ccccc3)csc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
CNR1 P21554 11/20 0.40
ALK Q9UM73 1/20 0.40
CNR2 P34972 2/20 0.38
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 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
SCHEMBL22400469 0.79 KDM4E (0.41) KDM4ECNR1ALKMEN1MAPT
SCHEMBL31107761 0.76 CCR1 (0.47) KDM4EMEN1MAPTKMT2AL3MBTL1
SCHEMBL31107751 0.76 CCR1 (0.35) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL2234011 0.73 LIMK1 (0.44) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL2234020 0.73 LIMK1 (0.44) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL28380296 0.71 NR4A2 (0.33) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL14830510 0.69 EPHB4 (0.32) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL22858221 0.67 KDM4E (0.38) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL1328750 0.67 PDPK1 (0.43) KDM4EMAPTMAPK1ALDH1A1CYP1A2
SCHEMBL30184527 0.67 PDPK1 (0.43) KDM4EMAPTMAPK1ALDH1A1CYP1A2

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 8 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
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
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

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 KDM4E 3692/4885CNR1 400/4885ALK 3370/4885
US-11453660-B2 Androgen receptor and glucocorticoid receptor modulators AR, NR5A1, NR3C1 KDM4E 3611/4885CNR1 351/4885ALK 2880/4885

“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.