SCHEMBL18170528

SCHEMBL18170528

c1cc([C@H]2CCNC2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.43
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MPO P05164 1/20 0.35

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
SCHEMBL18170495 1.00 HTR3A (0.43) HTR3ASLC18A3SIGMAR1HTR2AHTR2C
SCHEMBL2284072 1.00 HTR3A (0.43) HTR3ASLC18A3SIGMAR1HTR2AHTR2C
Hydrochloric Acid SCHEMBL18865712 0.98 HTR3A (0.42) HTR3ASLC18A3SIGMAR1HTR2AHTR2C
SCHEMBL21193137 0.89 CHEK1 (0.43) HTR2A
SCHEMBL1586961 0.88 SLC18A3 (0.42) SLC18A3SIGMAR1HTR2CMKNK1MKNK2
Hydrochloric Acid SCHEMBL18866040 0.87 CHEK1 (0.43) HTR2A
Hydrochloric Acid SCHEMBL28541350 0.86 SLC18A3 (0.41) SLC18A3SIGMAR1HTR2CMKNK1MKNK2
Hydrochloric Acid SCHEMBL3861509 0.86 SLC18A3 (0.41) SLC18A3SIGMAR1HTR2CMKNK1MKNK2
SCHEMBL16906233 0.84
Hydrochloric Acid SCHEMBL18556076 0.82 CHRNB4 (0.35) HTR3A

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
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 US disclosed
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2022-10-20 US disclosed
US-10759783-B2 Biaryl inhibitors of Bruton'S tyrosine kinase BIOGEN MA INC. (US) 2020-09-01 US disclosed
US-20190218204-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2019-07-18 US disclosed
US-10081619-B2 Biaryl inhibitors of bruton's tyrosine kinase BIOGEN MA INC. (US) 2018-09-25 US disclosed
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-04-05 US disclosed
US-9809577-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2017-11-07 US disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 US 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 (7 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN HTR3A 2865/4885SLC18A3 4738/4885SIGMAR1 4189/4885
US-10759783-B2 Biaryl inhibitors of Bruton'S tyrosine kinase ABL1, BTK, LYN HTR3A 2865/4885SLC18A3 4738/4885SIGMAR1 4189/4885
US-10081619-B2 Biaryl inhibitors of bruton's tyrosine kinase ABL1, BTK, LYN HTR3A 2865/4885SLC18A3 4738/4885SIGMAR1 4189/4885
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN HTR3A 2865/4885SLC18A3 4738/4885SIGMAR1 4189/4885
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN HTR3A 2865/4885SLC18A3 4738/4885SIGMAR1 4189/4885
US-20190218204-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN HTR3A 2865/4885SLC18A3 4738/4885SIGMAR1 4189/4885
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN HTR3A 2865/4885SLC18A3 4738/4885SIGMAR1 4189/4885

“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.