SCHEMBL3723540

SCHEMBL3723540

c1cc(C2CNC2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.37
CHRNA3 P32297 4/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA7 P36544 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNA1 P02708 1/20 0.37
ESR1 P03372 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNA5 P30532 1/20 0.37
HTR3A P46098 1/20 0.37
CHRND Q07001 1/20 0.37
CHRNA2 Q15822 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KDM5A P29375 1/20 0.35
MKNK1 Q9BUB5 4/20 0.35
MAP4K4 O95819 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
GSK3B P49841 2/20 0.32
CAMKK2 Q96RR4 1/20 0.31

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
SCHEMBL20577255 0.85 HTR3A (0.41) HTR3AKDM5AMKNK1
SCHEMBL20577257 0.85 HTR3A (0.41) HTR3AKDM5AMKNK1
Trifluoroacetic Acid SCHEMBL1741735 0.84 CHRNA7 (0.38) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL29597773 0.80
SCHEMBL5173417 0.80
SCHEMBL3390365 0.80 HSP90AA1 (0.41) HSP90AA1KDM5AMKNK1MAP4K4GSK3B
SCHEMBL9557367 0.80 MKNK1 (0.45) KDM5AMKNK1MAP4K4HRH3
SCHEMBL5172903 0.77 MAP4K4 (0.43) CHRNA7HSP90AA1KDM5AMAP4K4GSK3B
SCHEMBL3200493 0.77 CAMKK2 (0.44) HSP90AA1KDM5AMAP4K4CAMKK2PDE9A
SCHEMBL3196861 0.75 CYP11B2 (0.46) HSP90AA1KDM5AMAP4K4CAMKK2PDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127254-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2022-04-28 US claimed
US-20250136598-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2025-05-01 US disclosed
US-12172997-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2024-12-24 US disclosed
US-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-08-24 US disclosed
US-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
US-11618750-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-04-04 US disclosed
EP-3983075-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 EP disclosed
CN-113993868-A Substituted pyrazolopyridinamides and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2022-01-28 CN disclosed
US-20210017168-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-01-21 US disclosed
WO-2020249792-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 WO disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
CN-102292340-A Amino-heterocyclic compounds used as PDE9 inhibitors 2011-12-21 CN disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 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 (9 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-12172997-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3A CHRNB4 74/4885CHRNA3 60/4885CHRNB2 61/4885
US-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR GRIN2B, GRIN2A, GRIN3A CHRNB4 87/4885CHRNA3 67/4885CHRNB2 69/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A CHRNB4 187/4885CHRNA3 149/4885CHRNB2 170/4885
US-20250136598-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3A CHRNB4 74/4885CHRNA3 60/4885CHRNB2 61/4885
US-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE RIPK1, RIPK2, RIPK3 CHRNB4 4730/4885CHRNA3 4508/4885CHRNB2 4545/4885
US-11618750-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3A CHRNB4 74/4885CHRNA3 60/4885CHRNB2 61/4885
US-20210017168-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3A CHRNB4 74/4885CHRNA3 60/4885CHRNB2 61/4885
US-20220127254-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER KIT, TNNI3K, CILK1 CHRNB4 2530/4885CHRNA3 1881/4885CHRNB2 2331/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A CHRNB4 1523/4885CHRNA3 876/4885CHRNB2 1591/4885

“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.