SCHEMBL6663592

SCHEMBL6663592

OC1CCCCC1NC1CCN(c2ncnc3scc(-c4ccc(Br)cc4)c23)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.50
ADRB3 P13945 9/20 0.50
ADRB1 P08588 7/20 0.50
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6678332 0.91 LMNA (0.53) ADRB2ADRB3ADRB1HTTKMT2A
SCHEMBL6836276 0.91 ADRB2 (0.60) ADRB2ADRB3ADRB1POLBHTT
SCHEMBL6666691 0.81 ADRB2 (0.48) ADRB2ADRB3ADRB1KMT2A
SCHEMBL6838309 0.79 LMNA (0.56) KMT2A
SCHEMBL6668006 0.78 MEN1 (0.52) ADRB2ADRB3ADRB1HTTKMT2A
SCHEMBL6836170 0.76 KMT2A (0.51) ADRB2ADRB3ADRB1HTTKMT2A
SCHEMBL6662567 0.74 ADRB2 (0.58) ADRB2ADRB3ADRB1
SCHEMBL6832453 0.73 KMT2A (0.57) HTTKMT2A
SCHEMBL16293270 0.73 LMNA (0.64) ADRB2ADRB3ADRB1KMT2A
SCHEMBL6700387 0.73 ADRB2 (0.55) ADRB2ADRB3ADRB1POLBHTT

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-20140371203-A1 Thieno- and furo - pyrimidines and pyridines, useful as potassium channel inhibitors XENTION LIMITED (GB) 2014-12-18 US claimed
US-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists PREDIX PHARMACEUTICALS HOLDINGS, INC. 2004-07-15 US claimed
WO-2004014850-A2 SUBSTITUTED AMINOPYRIMIDINES AS NEUROKININ ANTAGONISTS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-02-19 WO claimed
US-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2016-06-02 US disclosed
US-9290511-B2 Thieno-pyrimidines, useful as potassium channel inhibitors XENTION LIMITED (GB) 2016-03-22 US disclosed
US-20140371203-A1 Thieno- and furo - pyrimidines and pyridines, useful as potassium channel inhibitors XENTION LIMITED (GB) 2014-12-18 US disclosed
US-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists PREDIX PHARMACEUTICALS HOLDINGS, INC. 2004-07-15 US disclosed
WO-2004014850-A2 SUBSTITUTED AMINOPYRIMIDINES AS NEUROKININ ANTAGONISTS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-02-19 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 (3 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-20140371203-A1 Thieno- and furo - pyrimidines and pyridines, useful as potassium channel inhibitors KCNA3, KCNJ1, KCNJ11 ADRB2 374/4885ADRB3 130/4885ADRB1 248/4885
US-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS KCNA3, KCNJ1, KCNJ11 ADRB2 379/4885ADRB3 131/4885ADRB1 250/4885
US-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists TACR1, GRPR, BDKRB1 ADRB2 192/4885ADRB3 324/4885ADRB1 136/4885

“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.