SCHEMBL1976321

SCHEMBL1976321

CC1CN(c2ccc(Cl)nc2)CC(C)N1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 8/20 0.71
CHRNA3 P32297 8/20 0.71
CHRNB2 P17787 9/20 0.67
CHRNA4 P43681 9/20 0.67

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
SCHEMBL12594311 0.81 CHRNB2 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL18479425 0.81 CHRNB2 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2821416 0.80 CHRNB2 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL29437368 0.80 CHRNB2 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5376103 0.80 CHRNB2 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2723337 0.80 CHRNB2 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL5036653 0.79 CHRNB2 (0.97) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL20414145 0.78 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4827560 0.77 CHRNB4 (0.67) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6367231 0.77 HTR3E (0.47) CHRNB4CHRNA3

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
US-8980903-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2015-03-17 US disclosed
US-8980903-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2015-03-17 US disclosed
US-8980903-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2015-03-17 US disclosed
US-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC (US) 2014-11-27 US disclosed
US-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC (US) 2014-11-27 US disclosed
US-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC (US) 2014-11-27 US disclosed
US-8841312-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2014-09-23 US disclosed
US-8841312-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2014-09-23 US disclosed
US-8841312-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2014-09-23 US disclosed
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors AMGEN INC (US) 2011-06-16 US disclosed
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors AMGEN INC (US) 2011-06-16 US disclosed
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors AMGEN INC (US) 2011-06-16 US disclosed
EP-2231656-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS Amgen Inc. (US) 2010-09-29 EP disclosed
WO-2009085185-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-07-09 WO disclosed
WO-2009085185-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-07-09 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 (2 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-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS CDK4, CDKL4, CDK2 CHRNB4 4697/4885CHRNA3 4724/4885CHRNB2 4767/4885
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors CDK4, CDKL4, CDK2 CHRNB4 4697/4885CHRNA3 4724/4885CHRNB2 4767/4885

“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.