SCHEMBL16809676

SCHEMBL16809676

Cc1cc(Br)cnc1CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
UHRF1 Q96T88 1/20 0.34
AGBL2 Q5U5Z8 2/20 0.33
DPP4 P27487 2/20 0.33
MEN1 O00255 1/20 0.32
DYRK1A Q13627 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 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
SCHEMBL10364955 0.81 S1PR1 (0.36) S1PR1S1PR3KMT2AHTTSMN1; SMN2
SCHEMBL29338673 0.81 S1PR1 (0.37) S1PR1S1PR3KMT2AHTTSMN1; SMN2
SCHEMBL15080876 0.81 S1PR1 (0.37) S1PR1S1PR3KMT2AHTTSMN1; SMN2
SCHEMBL9867322 0.80 HRH3 (0.36) S1PR1S1PR3HRH1HRH4
SCHEMBL7751886 0.79 S1PR1 (0.39) S1PR1S1PR3KMT2AHTTSMN1; SMN2
SCHEMBL2112705 0.79 S1PR1 (0.39) S1PR1S1PR3KMT2AHTTSMN1; SMN2
SCHEMBL1577276 0.79 AGBL2 (0.37) S1PR1S1PR3KMT2AHTTSMN1; SMN2
SCHEMBL2082753 0.78 NOS3 (0.52) UHRF1AGBL2DPP4KDM4EHRH1
SCHEMBL18489099 0.78 S1PR1 (0.35) S1PR1S1PR3KMT2AHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL18765135 0.77 NOS3 (0.50) AGBL2DPP4NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 EP disclosed
EP-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 EP disclosed
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors BIOGEN MA INC. (US) 2019-05-07 US disclosed
EP-3444251-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2019-02-20 EP disclosed
EP-3444251-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2019-02-20 EP disclosed
EP-3080122-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-10-31 EP disclosed
US-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2016-11-03 US disclosed
US-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2016-11-03 US disclosed
US-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2016-11-03 US disclosed
EP-3080122-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2016-10-19 EP disclosed
US-20160095843-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-07 US disclosed
WO-2015089327-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 WO disclosed
WO-2015089327-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 WO disclosed
US-8975417-B2 Pyrazolopyrrolidine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-03-10 US disclosed
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease NOVARTIS AG (CH) 2014-11-27 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 (4 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-20160095843-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE PKD1, PKD2, REN S1PR1 356/4885S1PR3 296/4885KMT2A 3613/4885
US-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS ABL1, BTK, LYN S1PR1 2069/4885S1PR3 1394/4885KMT2A 1611/4885
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease PKD1, PKD2, REN S1PR1 344/4885S1PR3 289/4885KMT2A 3658/4885
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors ABL1, BTK, LYN S1PR1 2069/4885S1PR3 1394/4885KMT2A 1611/4885

“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.