SCHEMBL4550609

SCHEMBL4550609

O=C(CBr)c1ncccn1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.50
WNT3A P56704 4/20 0.50
P2RX7 Q99572 1/20 0.48
GSK3B P49841 7/20 0.44
PTPN1 P18031 6/20 0.44
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM4 Q14833 1/20 0.34

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
Bromide SCHEMBL27039764 0.98 CTNNB1 (0.48) CTNNB1WNT3AP2RX7GSK3BPTPN1
SCHEMBL16601146 0.76 PTPN1 (0.45) CTNNB1WNT3AGSK3BPTPN1
SCHEMBL17224134 0.76 GSK3B (0.45) GSK3BPTPN1
SCHEMBL6317653 0.75 CTNNB1 (0.50) CTNNB1WNT3AP2RX7GSK3BCES2
SCHEMBL8744790 0.75 P2RX7 (0.54) CTNNB1WNT3AP2RX7CES2CES1
SCHEMBL882968 0.75 CTNNB1 (0.50) CTNNB1WNT3AP2RX7KMT2A
Hydrochloric Acid SCHEMBL2819700 0.73 P2RX7 (0.52) CTNNB1WNT3AP2RX7CES2CES1
SCHEMBL3741436 0.73 CTNNB1 (0.48) CTNNB1WNT3AGSK3BPTPN1KMT2A
SCHEMBL29603588 0.73 CTNNB1 (0.48) CTNNB1WNT3AGSK3BPTPN1KMT2A
SCHEMBL17820081 0.73 ALOX15 (0.44) GSK3BPTPN1KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION 2024-01-25 US disclosed
CN-116547282-A Heterocyclic compounds and their use for the treatment of helminth infections and diseases 新基公司 2023-08-04 CN disclosed
US-20220324860-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-10-13 US disclosed
CN-113993583-A Substituted pyrazolo [4,3-b ] pyridines and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2022-01-28 CN disclosed
US-11161846-B2 Substituted pyrazolo[4,3-b]pyridines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-11-02 US disclosed
US-11161846-B2 Substituted pyrazolo[4,3-b]pyridines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-11-02 US disclosed
US-20200392130-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 US disclosed
US-20200392130-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 US disclosed
WO-2020249791-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 WO disclosed
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
US-20130210804-A1 TRICYCLIC MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
US-20130210804-A1 TRICYCLIC MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
US-20130210804-A1 TRICYCLIC MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
WO-2012061019-A2 TRICYCLIC MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-05-10 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 (8 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 CTNNB1 1988/4885WNT3A 3923/4885P2RX7 2389/4885
US-20200392130-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN3B, GRIN3A CTNNB1 2148/4885WNT3A 2060/4885P2RX7 70/4885
US-20130210804-A1 TRICYCLIC MGLUR5 RECEPTOR MODULATORS GRM5, GRM1, GRM2 CTNNB1 4833/4885WNT3A 4615/4885P2RX7 406/4885
US-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CYP8B1, PAH, INHA CTNNB1 315/4885WNT3A 554/4885P2RX7 1420/4885
US-20220324860-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN3B, GRIN3A CTNNB1 2148/4885WNT3A 2060/4885P2RX7 70/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 CTNNB1 1988/4885WNT3A 3923/4885P2RX7 2389/4885
US-11161846-B2 Substituted pyrazolo[4,3-b]pyridines and their use as GluN2B receptor modulators GRIN2B, GRIN3B, GRIN3A CTNNB1 2148/4885WNT3A 2060/4885P2RX7 70/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 CTNNB1 1988/4885WNT3A 3923/4885P2RX7 2389/4885

“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.